Glycoside
GD121803
Name:
7-hydroxy-2-{4-hydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-3,5-dimethoxy-4H-chromen-4-oneFormula:
C29H34O16Smiles:
COc1c(-c2ccc(O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c2)oc2cc(O)cc(OC)c2c1=OAglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD47133
Formula: C17H14O7
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
