Glycoside
GD036744
Name:
NoneFormula:
C40H52O10N4Smiles:
Cc1c(C)c2c(c(C)c1CCCCCCn1cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)CCC(C)(COc1ccc(C=C3CC(=O)NC3=O)cc1)O2Aglycone:
Cc1c(C)c2c(c(C)c1CCCCCCn1cc(CO)nn1)CCC(C)(COc1ccc(C=C3CC(=O)NC3=O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 748.87 | Num_heavy_atoms: | 54 |
| TPSA: | 194.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD21869
Formula: C34H42O5N4
Smiles:
Cc1c(C)c2c(c(C)c1CCCCCCn1cc(CO)nn1)CCC(C)(COc1ccc(C=C3CC(=O)NC3=O)cc1)O2| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 586.73 | Num_heavy_atoms: | 43 |
| TPSA: | 115.57 | NumAromaticRings: | 3 |
