Glycoside
GD129947
Name:
4,5-dihydroxy-2-[(2-hydroxyethyl)sulfanyl]-6-{2-methoxy-1-[(1-methylpyrrolidin-2-yl)formamido]propyl}oxan-3-yl butanoateFormula:
C21H38O8N2SSmiles:
CCCC(=O)OC1C(SCCO)OC(C(N=C(O)C2CCCN2C)C(C)OC)C(O)C1OAglycone:
CCCC(=O)O.COC(C)CN=C(O)C1CCCN1CSugarmoiety:
COC(C)O.OCCSOC(O)C(O)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 478.61 | Num_heavy_atoms: | 32 |
| TPSA: | 141.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | 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 |
