Glycoside
GD158002
Name:
4-{3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]but-1-en-1-yl}-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C24H38O12Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 8 |
| 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 |
