N,alpha-L-rhamnopyranosyl vincosamide
PubChem CID: 71717770
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| Compound Synonyms | CHEMBL2348849, N,alpha-L-rhamnopyranosyl vincosamide |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 213.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCC(CC3CCCCC3)CC2CC2C1CCC1C3CCCCC3C(CC3CCCCC3)C21 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | OC[C@H]O[C@@H]O[C@@H]OC=C[C@H][C@H]6C=C)))C[C@H]NC6=O))CCcc6nO[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O))))))cc5cccc6))))))))))))))))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 47.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1C2COC(OC3CCCCO3)CC2CC2C3C(CCN12)C1CCCCC1N3OC1CCCCO1 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1210.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 14.0 |
| Iupac Name | (1R,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H40N2O13 |
| Scaffold Graph Node Bond Level | O=C1C2=COC(OC3CCCCO3)CC2CC2c3c(c4ccccc4n3OC3CCCCO3)CCN12 |
| Inchi Key | UYZWETYQWXDQOM-VPUABCQISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | n,alpha-l-rhamnopyranosyl vincosamide |
| Esol Class | Soluble |
| Functional Groups | C=CC, CN(C)C(=O)C1=CO[C@@H](O[C@@H](C)OC)CC1, CO, cn(c)O[C@@H](C)OC |
| Compound Name | N,alpha-L-rhamnopyranosyl vincosamide |
| Exact Mass | 660.253 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 660.253 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 660.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C32H40N2O13/c1-3-14-17-10-20-22-16(15-6-4-5-7-19(15)34(22)47-32-28(41)25(38)23(36)13(2)44-32)8-9-33(20)29(42)18(17)12-43-30(14)46-31-27(40)26(39)24(37)21(11-35)45-31/h3-7,12-14,17,20-21,23-28,30-32,35-41H,1,8-11H2,2H3/t13-,14+,17-,20+,21+,23-,24+,25+,26-,27+,28+,30-,31-,32-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)ON2C3=CC=CC=C3C4=C2[C@H]5C[C@H]6[C@H]([C@@H](OC=C6C(=O)N5CC4)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C=C)O)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Reference:ISBN:9770972795006