Glycoside
GD143795
Name:
N-(2-methoxy-1-{3,4,5-trihydroxy-6-[(2-hydroxyethyl)sulfanyl]oxan-2-yl}propyl)-1-methylpyrrolidine-2-carboxamideFormula:
C17H32O7N2SSmiles:
COC(C)C(N=C(O)C1CCCN1C)C1OC(SCCO)C(O)C(O)C1OAglycone:
COC(C)CN=C(O)C1CCCN1CSugarmoiety:
OCCSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.52 | Num_heavy_atoms: | 27 |
| TPSA: | 135.21 | NumAromaticRings: | 0 |
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 |
