Glycoside
GD144702
Name:
5-hydroxy-4-(hydroxymethyl)-6-methyl-9,10-dioxo-7-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C24H24O12Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD45728
Formula: C18H14O7
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
