Glycoside
GD135178
Name:
4-hydroxy-3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohex-2-en-1-oneFormula:
C25H40O13Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.58 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | 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 |
