Glycoside
GD120606
Name:
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:
C31H38O12N2Smiles:
CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2Aglycone:
CCC(O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 630.65 | Num_heavy_atoms: | 45 |
| TPSA: | 213.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD48474
Formula: C19H18O2N2
Smiles:
CCC(O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.37 | Num_heavy_atoms: | 23 |
| TPSA: | 55.12 | NumAromaticRings: | 3 |
