Glycoside
GD153767
Name:
5-hydroxy-2-(4-hydroxyphenyl)-3-({1,2,3,4,5-pentahydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexyl}oxy)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C33H42O20Smiles:
CC1OC(OCC(O)C(O)C(O)C(O)C(O)Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC(O)C(O)C(O)C(O)C(O)OO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -3.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 758.68 | Num_heavy_atoms: | 53 |
| TPSA: | 339.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
