Glycoside
GD136757
Name:
2-(hydroxymethyl)-6-[(3,5,5-trimethyl-4-{3-methyl-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]penta-1,3-dien-1-yl}cyclohex-3-en-1-yl)oxy]oxane-3,4,5-triolFormula:
C33H54O16Smiles:
CC(C=CC1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)=CCOC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C=CC1=C(C)CC(O)CC1(C)C)=CCOSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 706.78 | Num_heavy_atoms: | 49 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55281
Formula: C15H24O2
Smiles:
CC(C=CC1=C(C)CC(O)CC1(C)C)=CCO| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
