Glycoside
GD141585
Name:
2-{[4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H32O7Smiles:
CC1=C(C=CC(C)O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
CC1=C(C=CC(C)O)C(C)(C)CC(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.46 | Num_heavy_atoms: | 26 |
| TPSA: | 119.61 | 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 |
