Glycoside
GD127440
Name:
(3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methyl acetateFormula:
C14H24O12Smiles:
CC(=O)OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -4.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.33 | Num_heavy_atoms: | 26 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
