Glycoside
GD153463
Name:
1-methoxy-8-methyl-7-(1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl)-9H,11H-indolizino[1,2-b]quinolin-9-oneFormula:
C32H40O13N2Smiles:
CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1cc2n(c(=O)c1C)Cc1cc3c(OC)cccc3nc1-2Aglycone:
CCC(O)c1cc2n(c(=O)c1C)Cc1cc3c(OC)cccc3nc1-2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 660.67 | Num_heavy_atoms: | 47 |
| TPSA: | 222.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD61035
Formula: C20H20O3N2
Smiles:
CCC(O)c1cc2n(c(=O)c1C)Cc1cc3c(OC)cccc3nc1-2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.39 | Num_heavy_atoms: | 25 |
| TPSA: | 64.35 | NumAromaticRings: | 3 |
