Glycoside
GD126154
Name:
7-ethenyl-1,4a,7-trimethyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-2-oneFormula:
C26H40O7Smiles:
C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(=O)CCC23C)C1Aglycone:
C=CC1(C)CCC2C(=CCC3C(C)(CO)C(=O)CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD04043
Formula: C20H30O2
Smiles:
C=CC1(C)CCC2C(=CCC3C(C)(CO)C(=O)CCC23C)C1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
