Glycoside
GD012706
Name:
NoneFormula:
C35H54O8N6Smiles:
N[C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2c[nH]cn2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC1Aglycone:
NC1CCC(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]cn2)C(=O)NCCC2CCCCC2)CC1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.66 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 17 |
| MolWt: | 686.85 | Num_heavy_atoms: | 49 |
| TPSA: | 243.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD09553
Formula: C30H44O3N6
Smiles:
NC1CCC(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]cn2)C(=O)NCCC2CCCCC2)CC1| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 536.72 | Num_heavy_atoms: | 39 |
| TPSA: | 142.0 | NumAromaticRings: | 2 |
