Glycoside
GD031404
Name:
NoneFormula:
C37H53O8N3Smiles:
COc1cc(C(C)C)c(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N3CCNCC3)cc2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N3CCNCC3)cc2)c(C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 667.84 | Num_heavy_atoms: | 48 |
| TPSA: | 160.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD20239
Formula: C31H43O3N3
Smiles:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N3CCNCC3)cc2)c(C(C)C)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.7 | Num_heavy_atoms: | 37 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
