Glycoside
GD003404
Name:
NoneFormula:
C34H42O15Smiles:
COc1cc(C=CC(=O)O[C@@H]2C[C@H](O)[C@H](O)[C@@H]3[C@H]2CC[C@]2(O)C(=O)O[C@H](c4ccoc4)C[C@]32C)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)OC2CC(O)C(O)C3C2CCC2(O)C(=O)OC(c4ccoc4)CC32C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 690.7 | Num_heavy_atoms: | 49 |
| TPSA: | 235.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD03099
Formula: C28H32O10
Smiles:
COc1cc(C=CC(=O)OC2CC(O)C(O)C3C2CCC2(O)C(=O)OC(c4ccoc4)CC32C)ccc1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.55 | Num_heavy_atoms: | 38 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
