Glycoside
GD125694
Name:
6-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-oneFormula:
C28H32O13Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD47355
Formula: C16H12O5
Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
