Glycoside
GD027057
Name:
NoneFormula:
C52H78O13N10Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1O)C(C)C)C(=O)NCc1cccc[n+]1[O-]Aglycone:
CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(N)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 25 |
| MolWt: | 1051.25 | Num_heavy_atoms: | 75 |
| TPSA: | 335.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD17806
Formula: C46H68O8N10
Smiles:
CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(N)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-]| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 23 |
| MolWt: | 889.11 | Num_heavy_atoms: | 64 |
| TPSA: | 258.89 | NumAromaticRings: | 3 |
