Glycoside
GD151910
Name:
3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-[(2,3,4-trihydroxy-5-methyloxan-2-yl)oxy]-1,4-dihydronaphthalen-1-oneFormula:
C22H22O10Smiles:
CC1COC(O)(OC2=C(c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c3C2=O)C(O)C1OAglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21Sugarmoiety:
CC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD47722
Formula: C16H12O6
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
