Glycoside
GD137607
Name:
2-[3-(11,12-dihydroxy-4,8,12-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-3,7-dien-1-yl)-4-hydroxy-3,4-dimethyl-2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)cyclohexylidene]propanalFormula:
C42H72O16Smiles:
CC(=CCC(OC1OC(CO)C(O)C(O)C1O)C(C)=CCCC1(C)C(CCCOC2OC(CO)C(O)C(O)C2O)C(=C(C)C=O)CCC1(C)O)CCC(O)C(C)(C)OAglycone:
CC(=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 20 |
| MolWt: | 833.02 | Num_heavy_atoms: | 58 |
| TPSA: | 276.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD55582
Formula: C30H52O6
Smiles:
CC(=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O)CCC(O)C(C)(C)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
