Glycoside
GD125944
Name:
5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-methyl-2,5-dihydro-1H-pyrrol-2-oneFormula:
C17H27O12NSmiles:
CC1=CC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)N=C1OAglycone:
CC1=CC(O)N=C1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -4.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.4 | Num_heavy_atoms: | 30 |
| TPSA: | 211.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD48193
Formula: C5H7O2N
Smiles:
CC1=CC(O)N=C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
