Glycoside
GD155189
Name:
NoneFormula:
C42H54O23Smiles:
CC1OC(OC2C(C)OC(OC3C(O)C(OC4(COC(=O)C=Cc5ccc(O)cc5)OC(CO)C(O)C4O)OC(CO)C3OC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)C(CO)OC(OC4(O)OC(CO)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 926.87 | Num_heavy_atoms: | 65 |
| TPSA: | 359.97 | NumAromaticRings: | 2 |
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 |
