Glycoside
GD153754
Name:
N-[1-(6-{[2-(butanoyloxy)ethyl]sulfanyl}-3,4,5-trihydroxyoxan-2-yl)-2-methoxypropyl]-1-methylpyrrolidine-2-carboximidic acidFormula:
C21H38O8N2SSmiles:
CCCC(=O)OCCSC1OC(C(N=C(O)C2CCCN2C)C(C)OC)C(O)C(O)C1OAglycone:
CCCC(=O)OCCS.COC(C)CN=C(O)C1CCCN1CSugarmoiety:
COC(C)O.OOC(O)C(O)OOther 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
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 |
AD61121
Formula: C6H12O2S
Smiles:
CCCC(=O)OCCS| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 148.23 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
