Glycoside
GD123453
Name:
4-{2-hydroxy-2,6,6-trimethyl-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]cyclohexylidene}but-3-en-2-oneFormula:
C24H38O12Smiles:
CC(=O)C=C=C1C(C)(C)CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1(C)OAglycone:
CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.56 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD17280
Formula: C13H20O3
Smiles:
CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
