Glycoside
GD027095
Name:
NoneFormula:
C34H61O21N9Smiles:
C[C@H](NC(=O)[C@H](N)CO)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CC(NC(=O)C(N)CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 2 |
| HBD: | 22 | FractionCSP3: | 0.79 |
| AlogP: | -11.89 | Num_rotatable_bonds: | 25 |
| MolWt: | 931.9 | Num_heavy_atoms: | 64 |
| TPSA: | 509.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD17836
Formula: C22H41O11N9
Smiles:
CC(NC(=O)C(N)CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O| HBA: | 20 | RingCount: | 0 |
| HBD: | 16 | FractionCSP3: | 0.68 |
| AlogP: | -7.54 | Num_rotatable_bonds: | 19 |
| MolWt: | 607.62 | Num_heavy_atoms: | 42 |
| TPSA: | 351.64 | NumAromaticRings: | 0 |
