Glycoside
GD146717
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11,14,15-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H42O11Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CC(O)C21)C(O)(CO)C3OAglycone:
CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C21)C(O)(CO)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.61 | Num_heavy_atoms: | 37 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD58810
Formula: C20H32O6
Smiles:
CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C21)C(O)(CO)C3O| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
