Glycoside
GD128247
Name:
Verbenabraside BFormula:
C25H32O12Smiles:
CC1CC2OC(=O)C(COC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C2C1(O)COAglycone:
CC1CC2OC(=O)C(CO)C2C1(O)CO.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
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 |
AD51951
Formula: C10H16O5
Smiles:
CC1CC2OC(=O)C(CO)C2C1(O)CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.23 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
