Glycoside
GD153262
Name:
2-[(3,4,5-trihydroxy-6-{2-methoxy-1-[(1-methylpyrrolidin-2-yl)formamido]propyl}oxan-2-yl)sulfanyl]ethyl 2-aminobenzoateFormula:
C24H37O8N3SSmiles:
COC(C)C(N=C(O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2N)C(O)C(O)C1OAglycone:
COC(C)CN=C(O)C1CCCN1C.Nc1ccccc1C(=O)OCCSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.64 | Num_heavy_atoms: | 36 |
| TPSA: | 167.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD47172
Formula: C10H20O2N2
Smiles:
COC(C)CN=C(O)C1CCCN1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 200.28 | Num_heavy_atoms: | 14 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
AD54311
Formula: C9H11O2NS
Smiles:
Nc1ccccc1C(=O)OCCS| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.26 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
