Glycoside
GD123277
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H40O12Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CC(O)C12O)C(O)(CO)C3=OAglycone:
CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C12O)C(O)(CO)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD49729
Formula: C20H30O7
Smiles:
CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C12O)C(O)(CO)C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
