Glycoside
GD114474
Name:
(6-{4-[(6-{4-[(4,5-dihydroxy-6-{[(4-hydroxy-2-methylidenebutanoyl)oxy]methyl}oxan-3-yl)oxy]-3-methylidene-4-oxobutoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-methylidene-4-oxobutoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxy-2-methylidenebutanoateFormula:
C38H56O23Smiles:
C=C(CCO)C(=O)OCC1OCC(OC(=O)C(=C)CCOC2OC(COC(=O)C(=C)CCOC3OC(COC(=O)C(=C)CCO)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)OC.C=C(CCO)C(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OCOC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.68 |
| AlogP: | -4.93 | Num_rotatable_bonds: | 23 |
| MolWt: | 880.84 | Num_heavy_atoms: | 61 |
| TPSA: | 353.65 | 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 |
