Glycoside
GD122597
Name:
3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triolFormula:
C21H24O12Smiles:
CC1OC(OC2C(O)c3c(O)cc(O)cc3OC2c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.41 | Num_heavy_atoms: | 33 |
| TPSA: | 209.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD49417
Formula: C15H14O8
Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2O| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.27 | Num_heavy_atoms: | 23 |
| TPSA: | 150.84 | NumAromaticRings: | 2 |
