Glycoside
GD117681
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[9-(3,4-dimethoxyphenyl)-4,5-dimethoxy-8-(methoxymethyl)-2H,6H,7H,8H,9H-naphtho[1,2-d][1,3]dioxol-7-yl]methoxy}oxane-3,4,5-triolFormula:
C35H48O17Smiles:
COCC1C(COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)Cc2c(OC)c(OC)c3c(c2C1c1ccc(OC)c(OC)c1)OCO3Aglycone:
COCC1C(CO)Cc2c(OC)c(OC)c3c(c2C1c1ccc(OC)c(OC)c1)OCO3Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 740.75 | Num_heavy_atoms: | 52 |
| TPSA: | 222.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD46957
Formula: C24H30O8
Smiles:
COCC1C(CO)Cc2c(OC)c(OC)c3c(c2C1c1ccc(OC)c(OC)c1)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 84.84 | NumAromaticRings: | 2 |
