Glycoside
GD110738
Name:
NoneFormula:
C36H42O15N2Smiles:
COC(=O)[C@@H]1CC[C@H](O[C@@H]2O[C@H](CC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)N(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1Aglycone:
COC(=O)C1CCC(O)N(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1Sugarmoiety:
CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 742.73 | Num_heavy_atoms: | 53 |
| TPSA: | 199.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD44666
Formula: C22H24O7N2
Smiles:
COC(=O)C1CCC(O)N(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.44 | Num_heavy_atoms: | 31 |
| TPSA: | 105.61 | NumAromaticRings: | 2 |
