Glycoside
GD151587
Name:
4-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}but-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C25H40O12Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1C=CC(C)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.58 | Num_heavy_atoms: | 37 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD03070
Formula: C13H20O2
Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
