Glycoside
GD031044
Name:
NoneFormula:
C27H38O14Smiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O[C@H](Cc3ccccc3)C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C(O)Cc1ccccc1.OC1CCCCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 586.59 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00001
Formula: C9H10O3
Smiles:
O=C(O)C(O)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
