Glycoside
GD128149
Name:
Crepidialanceoside AFormula:
C29H34O11Smiles:
C=C1C(=O)OC2C3C(COC4OC(COC(=O)Cc5ccc(O)cc5)C(O)C(O)C4O)=CCC3=C(C)CC(O)C12Aglycone:
C=C1C(=O)OC2C3C(CO)=CCC3=C(C)CC(O)C12.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| 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 |
AD51911
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2C3C(CO)=CCC3=C(C)CC(O)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
