Glycoside
GD121921
Name:
7-hydroxy-2-(4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4H-chromen-4-oneFormula:
C38H48O24Smiles:
CC1OC(OC2OC(Oc3c(-c4ccc(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)cc4)oc4cc(O)ccc4c3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12Sugarmoiety:
CC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.61 |
| AlogP: | -5.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 888.78 | Num_heavy_atoms: | 62 |
| TPSA: | 387.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00807
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12| 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 |
