Glycoside
GD118083
Name:
2-[(3,4,5-trihydroxy-6-{2-methoxy-1-[(1-methylpyrrolidin-2-yl)formamido]propyl}oxan-2-yl)sulfanyl]ethyl acetateFormula:
C19H34O8N2SSmiles:
COC(C)C(N=C(O)C1CCCN1C)C1OC(SCCOC(C)=O)C(O)C(O)C1OAglycone:
CC(=O)OCCS.COC(C)CN=C(O)C1CCCN1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 450.55 | Num_heavy_atoms: | 30 |
| TPSA: | 141.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD47171
Formula: C4H8O2S
Smiles:
CC(=O)OCCS| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.17 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
