Glycoside
GD131671
Name:
NoneFormula:
C23H27O10N3SSmiles:
COc1ccc2nc(S(=O)Cc3ncc(COC4OC(C(=O)O)C(O)C(O)C4O)c(OC)c3C)[nH]c2c1Aglycone:
COc1ccc2nc(S(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.55 | Num_heavy_atoms: | 37 |
| TPSA: | 193.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD53328
Formula: C17H19O4N3S
Smiles:
COc1ccc2nc(S(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.42 | Num_heavy_atoms: | 25 |
| TPSA: | 97.33 | NumAromaticRings: | 3 |
