Glycoside
GD002155
Name:
NoneFormula:
C27H47O8N7Smiles:
CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCCCN)C(=O)N(C)c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C)c1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.74 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 15 |
| MolWt: | 597.71 | Num_heavy_atoms: | 42 |
| TPSA: | 235.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD02088
Formula: C22H39O4N7
Smiles:
CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C)c1cc[nH]c(=O)n1| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 13 |
| MolWt: | 465.6 | Num_heavy_atoms: | 33 |
| TPSA: | 176.3 | NumAromaticRings: | 1 |
