Glycoside
GD143917
Name:
2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethyl 4-(2,2-dimethoxyethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C35H52O20Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(OC)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C(C=C)C1CC(OC)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 17 |
| MolWt: | 792.78 | Num_heavy_atoms: | 55 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57862
Formula: C23H32O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C(C=C)C1CC(OC)OC| HBA: | 10 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
