Glycoside
GD143226
Name:
1-{6-[(3,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-methyl propanedioateFormula:
C25H24O13Smiles:
COC(=O)CC(=O)OCC1OC(Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.45 | Num_heavy_atoms: | 38 |
| TPSA: | 206.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
