Glycoside
GD129659
Name:
methyl 9-hydroxy-1,4a,8-trimethyl-7-{[methyl(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)carbamoyl]methylidene}-10-oxo-tetradecahydrophenanthrene-1-carboxylateFormula:
C30H47O11NSmiles:
COC(=O)C1(C)CCCC2(C)C3CCC(=CC(=O)N(C)CCOC4OC(CO)C(O)C(O)C4O)C(C)C3C(O)C(=O)C12Aglycone:
COC(=O)C1(C)CCCC2(C)C3CCC(=CC(=O)N(C)CCO)C(C)C3C(O)C(=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 597.7 | Num_heavy_atoms: | 42 |
| TPSA: | 183.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD52527
Formula: C24H37O6N
Smiles:
COC(=O)C1(C)CCCC2(C)C3CCC(=CC(=O)N(C)CCO)C(C)C3C(O)C(=O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 435.56 | Num_heavy_atoms: | 31 |
| TPSA: | 104.14 | NumAromaticRings: | 0 |
