Glycoside
GD027966
Name:
NoneFormula:
C47H77O10N3Smiles:
CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCOc1ccc(N=Nc2ccccc2)cc1Aglycone:
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCOc1ccc(N=Nc2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | 8.11 | Num_rotatable_bonds: | 34 |
| MolWt: | 844.14 | Num_heavy_atoms: | 60 |
| TPSA: | 202.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD18319
Formula: C41H67O5N3
Smiles:
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCOc1ccc(N=Nc2ccccc2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 10.28 | Num_rotatable_bonds: | 31 |
| MolWt: | 682.0 | Num_heavy_atoms: | 49 |
| TPSA: | 123.74 | NumAromaticRings: | 2 |
