Glycoside
GD144097
Name:
14-hydroxy-5,5,14-trimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0³,â¸]hexadecan-4-oneFormula:
C26H40O8Smiles:
C=C1C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C)C(=O)C2CC23CC(CCC12)C(C)(O)C3Aglycone:
C=C1C2CC(O)C(C)(C)C(=O)C2CC23CC(CCC12)C(C)(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47640
Formula: C20H30O3
Smiles:
C=C1C2CC(O)C(C)(C)C(=O)C2CC23CC(CCC12)C(C)(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
