Glycoside
GD134067
Name:
12-hydroxy-3-methyl-1,11-dioxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,11-dihydro-2,6-dioxatetracene-10-carboxylic acidFormula:
C24H20O13Smiles:
Cc1cc2cc3oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(C(=O)O)c4c(=O)c3c(O)c2c(=O)o1Aglycone:
Cc1cc2cc3oc4cc(O)cc(C(=O)O)c4c(=O)c3c(O)c2c(=O)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.41 | Num_heavy_atoms: | 37 |
| TPSA: | 217.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD54241
Formula: C18H10O8
Smiles:
Cc1cc2cc3oc4cc(O)cc(C(=O)O)c4c(=O)c3c(O)c2c(=O)o1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.27 | Num_heavy_atoms: | 26 |
| TPSA: | 138.18 | NumAromaticRings: | 4 |
