Glycoside
GD124785
Name:
2,6,13,17-tetramethyl-18-oxo-18-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octadeca-2,4,6,8,10,12,14,16-octaenoic acidFormula:
C34H46O14Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C(=O)O)=CC=CC=CC=C(C)C=CC=C(C)C(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 678.73 | Num_heavy_atoms: | 48 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD50432
Formula: C22H26O4
Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 354.45 | Num_heavy_atoms: | 26 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
