Glycoside
GD123590
Name:
1',4,5,8',10'-pentahydroxy-2,6'-dimethyl-10'-(3,4,5-trihydroxyoxan-2-yl)-9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10-trioneFormula:
C35H28O12Smiles:
Cc1cc(O)c2c(c1)C(O)(C1OCC(O)C(O)C1O)c1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(O)c1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 640.6 | Num_heavy_atoms: | 47 |
| TPSA: | 222.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD04930
Formula: C30H20O8
Smiles:
Cc1cc(O)c2c(c1)C(O)c1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.1 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 508.48 | Num_heavy_atoms: | 38 |
| TPSA: | 152.36 | NumAromaticRings: | 4 |
