Glycoside
GD156109
Name:
3,4,5-trihydroxy-6-[(3-phenyl-2-{[4-(propan-2-yl)cyclohexyl]formamido}propanoyl)oxy]oxane-2-carboxylic acidFormula:
C25H35O9NSmiles:
CC(C)C1CCC(C(O)=NC(Cc2ccccc2)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)CC1Aglycone:
CC(C)C1CCC(C(O)=NC(Cc2ccccc2)C(=O)O)CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 493.55 | Num_heavy_atoms: | 35 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD61852
Formula: C19H27O3N
Smiles:
CC(C)C1CCC(C(O)=NC(Cc2ccccc2)C(=O)O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 317.43 | Num_heavy_atoms: | 23 |
| TPSA: | 69.89 | NumAromaticRings: | 1 |
