Glycoside
GD143038
Name:
methyl 4-({6-[cyano(3-hydroxy-4-methoxyphenyl)methoxy]-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-2-yl}methyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C32H41O17NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCC2OC(OC(C#N)c3ccc(OC)c(O)c3)C(O)C(O)C2O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC(C#N)c3ccc(OC)c(O)c3)C(O)C(O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 711.67 | Num_heavy_atoms: | 50 |
| TPSA: | 265.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD57543
Formula: C26H31O12N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC(C#N)c3ccc(OC)c(O)c3)C(O)C(O)C2O1| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 549.53 | Num_heavy_atoms: | 39 |
| TPSA: | 186.39 | NumAromaticRings: | 1 |
