Glycoside
GD139542
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-7-{[3-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C42H48O22Smiles:
CC1OC(OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(OCC=Cc5ccc(O)cc5OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OCC=Cc3ccc(O)cc3O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.45 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 904.82 | Num_heavy_atoms: | 64 |
| TPSA: | 357.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD56270
Formula: C24H18O8
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OCC=Cc3ccc(O)cc3O)cc(O)c12| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.04 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.4 | Num_heavy_atoms: | 32 |
| TPSA: | 140.59 | NumAromaticRings: | 4 |
