Glycoside
GD147889
Name:
4-{3-[(6-{[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]but-1-en-1-yl}-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C30H48O17Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OSugarmoiety:
OCC1OC(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -4.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.7 | Num_heavy_atoms: | 47 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD07665
Formula: C13H20O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
