Glycoside
GD116793
Name:
{6-[(4,8-dihydroxy-5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C25H28O13Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(O)c4c3C(O)CCC4=O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C1CCC(O)c2c(O)ccc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD01787
Formula: C10H10O4
Smiles:
O=C1CCC(O)c2c(O)ccc(O)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
