Glycoside
GD115377
Name:
7-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C33H40O18Smiles:
CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
