Glycoside
GD133562
Name:
3,5,5-trimethyl-4-{3-[(3,4,5-trihydroxy-6-{[(2,3,4-trihydroxycyclohexyl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl}cyclohex-2-en-1-oneFormula:
C25H40O10Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)OC1OC(COC2CCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1C=CC(C)O.COC1CCC(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.59 | Num_heavy_atoms: | 35 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD03070
Formula: C13H20O2
Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD20005
Formula: C7H14O4
Smiles:
COC1CCC(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
