Glycoside
GD121146
Name:
methyl 4-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C34H40O14Smiles:
CCC1(O)CC(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCAglycone:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 672.68 | Num_heavy_atoms: | 48 |
| TPSA: | 218.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD48735
Formula: C22H20O8
Smiles:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 412.39 | Num_heavy_atoms: | 30 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
