Glycoside
GD019180
Name:
5-hydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O11Smiles:
C[C@@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@H](c2cc(O)c(O)c(O)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1CC(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD13423
Formula: C15H12O7
Smiles:
O=C1CC(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
