Glycoside
GD131128
Name:
10-(acetyloxy)-13-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,â¸]pentadec-11-en-9-yl acetateFormula:
C30H46O11Smiles:
C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C1CC1CC(O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)CAglycone:
C=C1C(O)CCC2(C)C1CC1CC(O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 582.69 | Num_heavy_atoms: | 41 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD53132
Formula: C24H36O6
Smiles:
C=C1C(O)CCC2(C)C1CC1CC(O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.55 | Num_heavy_atoms: | 30 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
