Glycoside
GD148719
Name:
{3,4,5-trihydroxy-6-[(2-{7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl acetateFormula:
C22H26O10Smiles:
CC(=O)OCC1OC(OC(C)(C)C2Cc3cc4ccc(=O)oc4cc3O2)C(O)C(O)C1OAglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 144.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD03997
Formula: C14H14O4
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
