Glycoside
GD157263
Name:
2-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C35H42O22Smiles:
CC(=O)OC1C(OC2C(Oc3c(-c4ccc(O)c(O)c4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.54 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 814.7 | Num_heavy_atoms: | 57 |
| TPSA: | 354.65 | 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 |
