Glycoside
GD141927
Name:
2-(hydroxymethyl)-6-{[1,4,5-trihydroxy-4-(3-hydroxybut-1-en-1-yl)-3,5-dimethylcyclohex-2-en-1-yl]oxy}oxane-3,4,5-triolFormula:
C18H30O10Smiles:
CC1=CC(O)(OC2OC(CO)C(O)C(O)C2O)CC(C)(O)C1(O)C=CC(C)OAglycone:
CC1=CC(O)(O)CC(C)(O)C1(O)C=CC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.43 | Num_heavy_atoms: | 28 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57138
Formula: C12H20O5
Smiles:
CC1=CC(O)(O)CC(C)(O)C1(O)C=CC(C)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.29 | Num_heavy_atoms: | 17 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
