Glycoside
GD115937
Name:
methyl 1-acetyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-pyrido[3,4-b]indole-3-carboxylateFormula:
C21H22O9N2Smiles:
COC(=O)c1cc2c([nH]c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)c(C(C)=O)n1Aglycone:
COC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 171.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD45949
Formula: C15H12O4N2
Smiles:
COC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 92.28 | NumAromaticRings: | 3 |
