Glycoside
GD120966
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,11-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H38O10Smiles:
C=C1C(=O)C23CC1CC(O)C2C1(C)CCCC(C)(C(=O)OC2OC(CO)C(O)C(O)C2O)C1CC3OAglycone:
C=C1C(=O)C23CC1CC(O)C2C1(C)CCCC(C)(C(=O)O)C1CC3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48647
Formula: C20H28O5
Smiles:
C=C1C(=O)C23CC1CC(O)C2C1(C)CCCC(C)(C(=O)O)C1CC3O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
