Glycoside
GD026080
Name:
NoneFormula:
C48H80O18N12Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)Cc1ccccc1)[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)OAglycone:
CCC(C)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(N)Cc1ccccc1)C(C)O)C(=O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 4 |
| HBD: | 22 | FractionCSP3: | 0.71 |
| AlogP: | -6.83 | Num_rotatable_bonds: | 29 |
| MolWt: | 1113.23 | Num_heavy_atoms: | 78 |
| TPSA: | 502.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD17217
Formula: C36H60O8N12
Smiles:
CCC(C)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(N)Cc1ccccc1)C(C)O)C(=O)O| HBA: | 20 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.61 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 23 |
| MolWt: | 788.95 | Num_heavy_atoms: | 56 |
| TPSA: | 344.06 | NumAromaticRings: | 1 |
