Glycoside
GD010233
Name:
3-(acetyloxy)-5-hydroxy-6-methyl-2-({2',4,4',5,5'-pentahydroxy-7,7'-dimethyl-9H,9'H,10H,10'H-[9,9'-bianthracene]-10,10'-diyl}oxy)oxan-4-yl acetateFormula:
C40H36O14Smiles:
CC(=O)O[C@@H]1[C@H](Oc2cc(O)c3c(c2)[C@H]([C@@H]2c4cc(C)cc(O)c4C(=O)c4c(O)cc(O)cc42)c2cc(C)cc(O)c2C3=O)O[C@H](C)[C@H](O)[C@H]1OC(C)=OAglycone:
Cc1cc(O)c2c(c1)C(C1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 740.71 | Num_heavy_atoms: | 54 |
| TPSA: | 226.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD07941
Formula: C30H22O8
Smiles:
Cc1cc(O)c2c(c1)C(C1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 510.5 | Num_heavy_atoms: | 38 |
| TPSA: | 155.52 | NumAromaticRings: | 4 |
