Glycoside
GD024632
Name:
2-{[4-(4-hydroxy-3,5-dimethoxybenzoyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)oxolan-3-yl]methoxy}oxane-3,4,5-triolFormula:
C27H34O13Smiles:
COc1cc(C(=O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD16417
Formula: C22H26O9
Smiles:
COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 123.91 | NumAromaticRings: | 2 |
