Glycoside
GD115025
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{2-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]ethoxy}oxane-3,4,5-triolFormula:
C19H34O12Smiles:
CC1OC1(CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C(C)(C)OAglycone:
CC1OC1(CCO)C(C)(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 454.47 | Num_heavy_atoms: | 31 |
| TPSA: | 191.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45422
Formula: C8H16O3
Smiles:
CC1OC1(CCO)C(C)(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 160.21 | Num_heavy_atoms: | 11 |
| TPSA: | 52.99 | NumAromaticRings: | 0 |
