Glycoside
GD135750
Name:
4,5-dihydroxy-2-{[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C21H31O14NSmiles:
COCc1c(COC2OC(CO)C(O)C(O)C2OC(=O)C2OC(O)C(O)C(O)C2O)cnc(C)c1OAglycone:
COCc1c(CO)cnc(C)c1OSugarmoiety:
O=C(OC1C(O)OC(CO)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.47 | Num_heavy_atoms: | 36 |
| TPSA: | 237.95 | 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 |
