Glycoside
GD127009
Name:
2-methyl-5-(propan-2-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-oneFormula:
C16H26O7Smiles:
CC1=CCC(C(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1=OAglycone:
CC1=CCC(C(C)C)C(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.38 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51411
Formula: C10H16O2
Smiles:
CC1=CCC(C(C)C)C(O)C1=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
