Glycoside
GD133050
Name:
F-10748 A2Formula:
C37H56O15Smiles:
CCC(C)C=CCCCC(C)C(O)CC=CC=CC(=O)OC1C(O)C(c2c(O)cc(O)cc2CO)OC(CO)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCC(C)C=CCCCC(C)C(O)CC=CC=CC(=O)O.OCc1cc(O)cc(O)c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 18 |
| MolWt: | 740.84 | Num_heavy_atoms: | 52 |
| TPSA: | 256.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD00090
Formula: C7H8O3
Smiles:
OCc1cc(O)cc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD48433
Formula: C18H30O3
Smiles:
CCC(C)C=CCCCC(C)C(O)CC=CC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 294.44 | Num_heavy_atoms: | 21 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
