Glycoside
GD148103
Name:
2-({5-hydroxy-2-[(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C33H56O15Smiles:
CC(=CCCC(C)=CCCC(C)=CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)COAglycone:
CC(=CCCC(C)=CCCC(C)=CCO)COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.82 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 15 |
| MolWt: | 692.8 | Num_heavy_atoms: | 48 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48101
Formula: C15H26O2
Smiles:
CC(=CCCC(C)=CCCC(C)=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
