Glycoside
GD151729
Name:
methyl 2-ethyl-2,5,7-trihydroxy-4-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C34H40O13Smiles:
CCC1(O)CC(OC2CC(O)C(OC3CCC(O)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 656.68 | Num_heavy_atoms: | 47 |
| TPSA: | 198.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
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 |
