Glycoside
GD001872
Name:
NoneFormula:
C40H69O18N9Smiles:
CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1)[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]1O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)OAglycone:
CC(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)C(C)O)C(C)C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.82 |
| AlogP: | -7.28 | Num_rotatable_bonds: | 22 |
| MolWt: | 964.04 | Num_heavy_atoms: | 67 |
| TPSA: | 426.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD01832
Formula: C28H49O8N9
Smiles:
CC(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)C(C)O)C(C)C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.75 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 16 |
| MolWt: | 639.76 | Num_heavy_atoms: | 45 |
| TPSA: | 268.17 | NumAromaticRings: | 0 |
