Glycoside
GD152601
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[9-(3,4-dimethoxyphenyl)-4-methoxy-8-(methoxymethyl)-2H,6H,7H,8H,9H-naphtho[1,2-d][1,3]dioxol-7-yl]methoxy}oxane-3,4,5-triolFormula:
C34H46O16Smiles:
COCC1C(COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)Cc2cc(OC)c3c(c2C1c1ccc(OC)c(OC)c1)OCO3Aglycone:
COCC1C(CO)Cc2cc(OC)c3c(c2C1c1ccc(OC)c(OC)c1)OCO3Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 710.73 | Num_heavy_atoms: | 50 |
| TPSA: | 213.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD60749
Formula: C23H28O7
Smiles:
COCC1C(CO)Cc2cc(OC)c3c(c2C1c1ccc(OC)c(OC)c1)OCO3| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.47 | Num_heavy_atoms: | 30 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
