Glycoside
GD123945
Name:
1,4a,7-trimethyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxamideFormula:
C26H43O7NSmiles:
CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC2C(=CCC3C(C)(C(=N)O)CCCC23C)C1Aglycone:
CC1(CCO)CCC2C(=CCC3C(C)(C(=N)O)CCCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.63 | Num_heavy_atoms: | 34 |
| TPSA: | 143.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD50047
Formula: C20H33O2N
Smiles:
CC1(CCO)CCC2C(=CCC3C(C)(C(=N)O)CCCC23C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.49 | Num_heavy_atoms: | 23 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
