Glycoside
GD080828
Name:
NoneFormula:
C18H23O8N3Smiles:
COC(=O)c1cccc2c(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[nH]nc12Aglycone:
COC(=O)c1cccc2c(C(=O)NCCO)[nH]nc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 163.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD36489
Formula: C12H13O4N3
Smiles:
COC(=O)c1cccc2c(C(=O)NCCO)[nH]nc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.25 | Num_heavy_atoms: | 19 |
| TPSA: | 104.31 | NumAromaticRings: | 2 |
