Glycoside
GD150639
Name:
1',4,5,8',10-pentahydroxy-2-methoxy-6',7-dimethyl-10'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[1,2'-bianthracen]-9'-oneFormula:
C37H36O12Smiles:
COc1cc(O)c2c(c1-c1ccc3c(c1O)C(=O)c1c(O)cc(C)cc1C3C1OC(CO)C(O)C(O)C1O)Cc1cc(C)cc(O)c1C2OAglycone:
COc1cc(O)c2c(c1-c1ccc3c(c1O)C(=O)c1c(O)cc(C)cc1C3)Cc1cc(C)cc(O)c1C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 672.68 | Num_heavy_atoms: | 49 |
| TPSA: | 217.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD60151
Formula: C31H26O7
Smiles:
COc1cc(O)c2c(c1-c1ccc3c(c1O)C(=O)c1c(O)cc(C)cc1C3)Cc1cc(C)cc(O)c1C2O| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 510.54 | Num_heavy_atoms: | 38 |
| TPSA: | 127.45 | NumAromaticRings: | 4 |
