Glycoside
GD019490
Name:
NoneFormula:
C45H56O12N8Smiles:
CC(=O)N[C@H]1[C@H](OCC(=O)N2CCC[C@H]2C(=O)N[C@H](CCC(=O)NCCCCCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1Aglycone:
NC(=O)C(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)NC(=O)C1CCCN1C(=O)CO.OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 22 |
| MolWt: | 900.99 | Num_heavy_atoms: | 65 |
| TPSA: | 286.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07347
Formula: C30H37O7N7
Smiles:
NC(=O)C(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)NC(=O)C1CCCN1C(=O)CO| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 15 |
| MolWt: | 607.67 | Num_heavy_atoms: | 44 |
| TPSA: | 209.89 | NumAromaticRings: | 3 |
