Glycoside
GD121477
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylateFormula:
C26H40O9Smiles:
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)C(=O)O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD48904
Formula: C20H30O4
Smiles:
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)C(=O)O)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
