Glycoside
GD156962
Name:
2,4,4',5,5',7-hexahydroxy-7'-methyl-2'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetroneFormula:
C35H26O16Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(OC3OC(CO)C(O)C(O)C3O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(O)cc(O)c1C3=O)C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(O)cc(O)c1C3=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.2 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 702.58 | Num_heavy_atoms: | 51 |
| TPSA: | 289.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD53245
Formula: C29H16O11
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(O)cc(O)c1C3=O)C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.03 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 540.44 | Num_heavy_atoms: | 40 |
| TPSA: | 209.89 | NumAromaticRings: | 4 |
