Glycoside
GD133455
Name:
5,5,14-trimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadecane-3,4,10,14-tetrolFormula:
C26H42O10Smiles:
C=C1C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C)C2(O)C(O)CC23CC(CCC12O)C(C)(O)C3Aglycone:
C=C1C2CC(O)C(C)(C)C2(O)C(O)CC23CC(CCC12O)C(C)(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD54015
Formula: C20H32O5
Smiles:
C=C1C2CC(O)C(C)(C)C2(O)C(O)CC23CC(CCC12O)C(C)(O)C3| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
