Glycoside
GD131645
Name:
2-(3,4-dihydroxyphenyl)-6-{2,3,4,4',5,5'-hexahydroxy-2',2',6,6-tetramethyl-[2,3'-bioxan]-6'-yl}-5,7-dihydroxy-4H-chromen-4-oneFormula:
C29H34O14Smiles:
CC1(C)OC(O)(C2C(O)C(O)C(c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)OC2(C)C)C(O)C(O)C1OAglycone:
CC1(C)CC(O)C(O)C(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O1Sugarmoiety:
CC1(C)OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 250.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD53318
Formula: C22H22O9
Smiles:
CC1(C)CC(O)C(O)C(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
