Glycoside
GD130310
Name:
2-{[4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C25H42O12Smiles:
CC1=C(C=CC(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1Aglycone:
CC1=C(C=CC(C)O)C(C)(C)CC(O)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.6 | Num_heavy_atoms: | 37 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD52805
Formula: C13H22O2
Smiles:
CC1=C(C=CC(C)O)C(C)(C)CC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
