Glycoside
GD036467
Name:
NoneFormula:
C36H38O16Smiles:
CCOC(=O)c1c(C(=O)OCC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1O[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCOC(=O)c1c(C(=O)OCC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 726.68 | Num_heavy_atoms: | 52 |
| TPSA: | 186.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD22994
Formula: C25H24O9
Smiles:
CCOC(=O)c1c(C(=O)OCC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.46 | Num_heavy_atoms: | 34 |
| TPSA: | 109.75 | NumAromaticRings: | 3 |
