Glycoside
GD141009
Name:
2-{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-5,7-dihydroxy-4H-chromen-4-oneFormula:
C21H20O11Smiles:
CC1OC(Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc(O)c2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD15950
Formula: C15H10O7
Smiles:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
