Glycoside
GD119065
Name:
1,1',3',4,5',6,8-heptahydroxy-2',8'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5',6',7',8'-tetrahydro-9H,9'H-[2,4'-bixanthene]-9,9'-dioneFormula:
C38H38O23Smiles:
O=c1c2c(oc3c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)c(OC4OC(CO)C(O)C(O)C4O)c(O)c13)C(O)CCC2OC1OC(CO)C(O)C(O)C1OAglycone:
O=c1c2c(oc3c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)c(O)c(O)c13)C(O)CCC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.42 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 862.7 | Num_heavy_atoms: | 61 |
| TPSA: | 400.79 | NumAromaticRings: | 5 |
Unique Aglycone
AD47658
Formula: C26H18O13
Smiles:
O=c1c2c(oc3c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)c(O)c(O)c13)C(O)CCC2O| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.15 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 538.42 | Num_heavy_atoms: | 39 |
| TPSA: | 242.49 | NumAromaticRings: | 5 |
