Glycoside
GD009095
Name:
2-[(7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H42O8Smiles:
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(CO)C(O)C(O)C2O)C1Aglycone:
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)CO)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD07174
Formula: C20H32O3
Smiles:
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)CO)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
