Glycoside
GD124977
Name:
1-methyl 3-{3,4,5-trihydroxy-6-[(8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy]oxan-2-yl}methyl propanedioateFormula:
C26H26O13Smiles:
COC(=O)CC(=O)OCC1OC(Oc2cc(OC)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 195.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD07716
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | 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 |
