Glycoside
GD020555
Name:
NoneFormula:
C28H32O13Smiles:
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1COC(=O)[C@H]1C2)OCO3Aglycone:
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(O)C1COC(=O)C1C2)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 171.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD06471
Formula: C22H22O8
Smiles:
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(O)C1COC(=O)C1C2)OCO3| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
