Glycoside
GD154930
Name:
Scroside CFormula:
C37H50O21Smiles:
COc1ccc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(OC)c(O)c3)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(C=CC(=O)O)cc1O.COc1ccc(CCO)cc1OSugarmoiety:
OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 16 |
| MolWt: | 830.79 | Num_heavy_atoms: | 58 |
| TPSA: | 322.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD12114
Formula: C10H10O4
Smiles:
COc1ccc(C=CC(=O)O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
