Glycoside
GD030452
Name:
NoneFormula:
C49H48O20Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC[C@@H]1O[C@H](O[C@@]2(COC(=O)C=Cc3ccc(O)cc3)O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H]2OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCOC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.27 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 18 |
| MolWt: | 956.9 | Num_heavy_atoms: | 69 |
| TPSA: | 314.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD15261
Formula: C11H12O4
Smiles:
CCOC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
