Glycoside
GD144245
Name:
2-(10-{[3-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-(methoxycarbonyl)bicyclo[4.3.1]deca-4,8-dien-7-yl)acetic acidFormula:
C22H32O10Smiles:
CCC1(O)C(OC2C3C=C(C(=O)OC)C(CC(=O)O)C2C=CCC3)OC(CO)C(O)C1OAglycone:
COC(=O)C1=CC2CCC=CC(C1CC(=O)O)C2OSugarmoiety:
CCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.49 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57983
Formula: C14H18O5
Smiles:
COC(=O)C1=CC2CCC=CC(C1CC(=O)O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.29 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
