Glycoside
GD157059
Name:
4-hydroxy-3,5,5-trimethyl-4-{3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl}cyclohex-2-en-1-oneFormula:
C24H38O12Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.56 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD07665
Formula: C13H20O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
