Glycoside
GD031835
Name:
NoneFormula:
C25H40O7N4Smiles:
CCC(C)C=CC(=O)Nc1ccn([C@@H]2CC[C@H](O[C@@H]3O[C@H](C)[C@H](N(C)C)[C@H](O)[C@H]3O)[C@H](C)O2)c(=O)n1Aglycone:
CCC(C)C=CC(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1N(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.62 | Num_heavy_atoms: | 36 |
| TPSA: | 135.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD20479
Formula: C17H25O4N3
Smiles:
CCC(C)C=CC(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.4 | Num_heavy_atoms: | 24 |
| TPSA: | 93.45 | NumAromaticRings: | 1 |
