Glycoside
GD013109
Name:
NoneFormula:
C48H46O15Smiles:
O=C(C=Cc1ccccc1)OC[C@@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)C=Cc3ccccc3)[C@H]2O)[C@H](OC(=O)C=Cc2ccccc2)[C@H]1OC(=O)C=Cc1ccccc1Aglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 17 |
| MolWt: | 862.88 | Num_heavy_atoms: | 63 |
| TPSA: | 213.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
