Glycoside
GD020181
Name:
NoneFormula:
C37H53O8N3Smiles:
Cc1cc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N2CCNCC2)ccc1Cc1cc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)cc1C(C)CAglycone:
Cc1cc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N2CCNCC2)ccc1Cc1ccc(O)cc1C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 667.84 | Num_heavy_atoms: | 48 |
| TPSA: | 171.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD13974
Formula: C31H43O3N3
Smiles:
Cc1cc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N2CCNCC2)ccc1Cc1ccc(O)cc1C(C)C| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 505.7 | Num_heavy_atoms: | 37 |
| TPSA: | 81.67 | NumAromaticRings: | 2 |
