Glycoside
GD013682
Name:
NoneFormula:
C30H36O11N2Smiles:
COc1ccc(-c2noc(CC(=O)NCCCCC(=O)OC[C@@H]3OC(O)[C@H](O)[C@H](O)[C@H]3O)c2-c2ccc(OC)cc2)cc1Aglycone:
COC(=O)CCCCNC(=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: | 0.43 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 600.62 | Num_heavy_atoms: | 43 |
| TPSA: | 190.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD10169
Formula: C25H28O6N2
Smiles:
COC(=O)CCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 452.51 | Num_heavy_atoms: | 33 |
| TPSA: | 99.89 | NumAromaticRings: | 3 |
