Glycoside
GD033717
Name:
NoneFormula:
C47H78O23N6Smiles:
CC(=CC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)C=C(C)CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC1=O)CCOC(=O)[C@H](CCCN(O)C(=O)C=C(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[N+](C)(C)[O-]Aglycone:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C=C(C)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCO)[N+](C)(C)[O-])NC1=O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.74 |
| AlogP: | -3.91 | Num_rotatable_bonds: | 30 |
| MolWt: | 1095.16 | Num_heavy_atoms: | 76 |
| TPSA: | 427.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD21502
Formula: C35H58O13N6
Smiles:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C=C(C)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCO)[N+](C)(C)[O-])NC1=O)CCO| HBA: | 19 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 24 |
| MolWt: | 770.88 | Num_heavy_atoms: | 54 |
| TPSA: | 269.64 | NumAromaticRings: | 0 |
