Glycoside
GD023325
Name:
NoneFormula:
C36H48O11N2Smiles:
COc1ccc(-c2noc(CC(=O)NCCCCCCCCCCC(=O)OC[C@@H]3OC(O)[C@H](O)[C@H](O)[C@H]3O)c2-c2ccc(OC)cc2)cc1Aglycone:
COC(=O)CCCCCCCCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 19 |
| MolWt: | 684.78 | Num_heavy_atoms: | 49 |
| TPSA: | 190.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD15704
Formula: C31H40O6N2
Smiles:
COC(=O)CCCCCCCCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 17 |
| MolWt: | 536.67 | Num_heavy_atoms: | 39 |
| TPSA: | 99.89 | NumAromaticRings: | 3 |
