Glycoside
GD142174
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C27H28O13Smiles:
CC1OC(OC2C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2c2c(O)cc(O)cc2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 229.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD57221
Formula: C21H18O9
Smiles:
Oc1cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c(O)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.14 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 171.07 | NumAromaticRings: | 3 |
