Glycoside
GD122750
Name:
1,3,3',5',6,6',7-heptahydroxy-7'-methoxy-2,2'-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H-[4,4'-bixanthene]-9,9'-dioneFormula:
C39H36O22Smiles:
COc1cc2c(=O)c3cc(C4OC(CO)C(O)C(O)C4O)c(O)c(-c4c(O)c(C5OC(CO)C(O)C(O)C5O)c(O)c5c(=O)c6cc(O)c(O)cc6oc45)c3oc2c(O)c1OAglycone:
COc1cc2c(=O)c3ccc(O)c(-c4c(O)cc(O)c5c(=O)c6cc(O)c(O)cc6oc45)c3oc2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.33 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 856.7 | Num_heavy_atoms: | 61 |
| TPSA: | 391.56 | NumAromaticRings: | 6 |
Unique Aglycone
AD49497
Formula: C27H16O12
Smiles:
COc1cc2c(=O)c3ccc(O)c(-c4c(O)cc(O)c5c(=O)c6cc(O)c(O)cc6oc45)c3oc2c(O)c1O| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.41 | Num_heavy_atoms: | 39 |
| TPSA: | 211.26 | NumAromaticRings: | 6 |
