Glycoside
GD138180
Name:
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C20H31O12NSmiles:
COCc1c(COC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)cnc(C)c1OAglycone:
COCc1c(CO)cnc(C)c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 477.46 | Num_heavy_atoms: | 33 |
| TPSA: | 200.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD18181
Formula: C9H13O3N
Smiles:
COCc1c(CO)cnc(C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 62.58 | NumAromaticRings: | 1 |
