Glycoside
GD119283
Name:
1,8-Dihydroxy-3-Methylanthraquinone; 1-O-[β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranosyl-(1->3)-β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranoside]Formula:
C39H50O24Smiles:
Cc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.64 |
| AlogP: | -6.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 902.81 | Num_heavy_atoms: | 63 |
| TPSA: | 391.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD07732
Formula: C15H10O4
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
