Glycoside
GD132921
Name:
2-{[12,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O9Smiles:
CC1(COC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(C(O)CC12)C(O)(CO)C3Aglycone:
CC1(CO)CCCC2(C)C1CCC13CC(C(O)CC12)C(O)(CO)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD53813
Formula: C20H34O4
Smiles:
CC1(CO)CCCC2(C)C1CCC13CC(C(O)CC12)C(O)(CO)C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
