Glycoside
GD131961
Name:
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(3,5,6-trihydroxy-4-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C21H20O11Smiles:
CC1C(O)C(O)OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(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 |
