Glycoside
GD125017
Name:
Crepiside IFormula:
C29H34O11Smiles:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD19393
Formula: C15H18O4
Smiles:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
