Glycoside
GD129004
Name:
(3,4,5-trihydroxy-6-{[6-hydroxy-1-methyl-4-(propan-2-yl)cyclohex-3-en-1-yl]oxy}oxan-2-yl)methyl acetateFormula:
C18H30O8Smiles:
CC(=O)OCC1OC(OC2(C)CC=C(C(C)C)CC2O)C(O)C(O)C1OAglycone:
CC(C)C1=CCC(C)(O)C(O)C1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.43 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | 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 |
AD29386
Formula: C10H18O2
Smiles:
CC(C)C1=CCC(C)(O)C(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
