Glycoside
GD144152
Name:
3-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-{[6-(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,6-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C49H60O24Smiles:
CC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC(c4c(O)cc(OC5OC(CO)C(O)C5O)c(C(=O)CCc5ccc(O)cc5)c4O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 16 |
| MolWt: | 1033.0 | Num_heavy_atoms: | 73 |
| TPSA: | 377.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
