Glycoside
GD140004
Name:
2-{1-carboxy-2-[(3,4,5-trihydroxy-6-{[(3-phenylprop-2-enoyl)oxy]methyl}oxan-2-yl)oxy]ethyl}-5-methylcyclopentane-1-carboxylic acidFormula:
C25H32O11Smiles:
CC1CCC(C(COC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C(=O)O)C1C(=O)OAglycone:
CC1CCC(C(CO)C(=O)O)C1C(=O)O.COC(=O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD56450
Formula: C10H16O5
Smiles:
CC1CCC(C(CO)C(=O)O)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.23 | Num_heavy_atoms: | 15 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
