Glycoside
GD131424
Name:
2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2',4,4',5,5',7'-hexahydroxy-7-methyl-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetroneFormula:
C34H24O15Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(OC3OC(CO)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)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.18 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 672.55 | Num_heavy_atoms: | 49 |
| TPSA: | 268.81 | 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 |
