Glycoside
GD124781
Name:
2-{[2-({2-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl hexadecanoateFormula:
C51H72O23Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(OC2C(OC3C(OC4C(Oc5c(-c6ccc(O)cc6)oc6cc(O)cc(O)c6c5=O)OCC(O)C4O)OCC(O)C3O)OCC(O)C2O)OCC(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1COC(OC2C(OC3C(OC4C(O)OCC(O)C4O)OCC(O)C3O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 24 |
| MolWt: | 1053.11 | Num_heavy_atoms: | 74 |
| TPSA: | 352.88 | 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 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
