Glycoside
GD022397
Name:
FLACOURTOSIDE CFormula:
C33H34O15Smiles:
O=Cc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC(=O)c1ccccc1.COC(=O)c1ccccc1.O=Cc1cc(O)ccc1OSugarmoiety:
OC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 670.62 | Num_heavy_atoms: | 48 |
| TPSA: | 227.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD12558
Formula: C7H6O3
Smiles:
O=Cc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
