Glycoside
GD012775
Name:
NoneFormula:
C54H76O20N10Smiles:
CC(=O)N[C@H](CCCCNC(=O)c1cc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1)C(=O)NCC(=O)NCc1ccccc1Aglycone:
CC(=O)NC(CCCCNC(=O)c1cc(NC(=O)CNC(=O)C2CCCN2C(C)=O)cc(NC(=O)CNC(=O)C2CCCN2C(C)=O)c1)C(=O)NCC(=O)NCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.59 |
| AlogP: | -5.92 | Num_rotatable_bonds: | 26 |
| MolWt: | 1185.25 | Num_heavy_atoms: | 84 |
| TPSA: | 453.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD09597
Formula: C42H56O10N10
Smiles:
CC(=O)NC(CCCCNC(=O)c1cc(NC(=O)CNC(=O)C2CCCN2C(C)=O)cc(NC(=O)CNC(=O)C2CCCN2C(C)=O)c1)C(=O)NCC(=O)NCc1ccccc1| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 20 |
| MolWt: | 860.97 | Num_heavy_atoms: | 62 |
| TPSA: | 273.42 | NumAromaticRings: | 2 |
