Glycoside
GD154466
Name:
1,4',5',8,10-pentahydroxy-2',6-bis(hydroxymethyl)-9',10-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10'-dioneFormula:
C42H42O19Smiles:
O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3(O)C2OC(CO)C(O)C(O)C2O)(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21Aglycone:
O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3O)c2cc(CO)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.38 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 850.78 | Num_heavy_atoms: | 61 |
| TPSA: | 356.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD61349
Formula: C30H22O9
Smiles:
O=C1c2c(O)cccc2C(c2ccc3c(c2O)C(=O)c2c(O)cc(CO)cc2C3O)c2cc(CO)cc(O)c21| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.5 | Num_heavy_atoms: | 39 |
| TPSA: | 175.75 | NumAromaticRings: | 4 |
