Glycoside
GD156553
Name:
5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methoxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C34H42O22Smiles:
COc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -4.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 802.69 | Num_heavy_atoms: | 56 |
| TPSA: | 357.81 | 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 |
