Glycoside
GD155301
Name:
7-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-chromen-4-oneFormula:
C39H50O24Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(COC4OC(C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)cc(O)c2c1=OAglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
CC1OC(OC2C(OCC3OC(O)C(OC4OCC(O)C(O)C4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.62 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 902.81 | Num_heavy_atoms: | 63 |
| TPSA: | 376.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD09931
Formula: C16H12O7
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
