Glycoside
GD123236
Name:
[3,4-dihydroxy-5-({2-methylidene-4-[(3,4,5-trihydroxy-6-{[(2-methylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoyl)oxy]methyl}oxan-2-yl)oxy]butanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoateFormula:
C33H50O21Smiles:
C=C(CCO)C(=O)OCC1OCC(OC(=O)C(=C)CCOC2OC(COC(=O)C(=C)CCOC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OAglycone:
C=C(CCO)C(=O)O.C=C(CCO)C(=O)OC.C=C(CCO)C(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OCOC(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -5.42 | Num_rotatable_bonds: | 19 |
| MolWt: | 782.74 | Num_heavy_atoms: | 54 |
| TPSA: | 327.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD09140
Formula: C5H8O3
Smiles:
C=C(CCO)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
