Glycoside
GD145019
Name:
6-{[19-(acetyloxy)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricos-1(23)-en-8-yl]oxy}-4,5-dihydroxyoxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C46H66O9Smiles:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(OC6OCC(OC(=O)C=Cc7ccc(O)cc7)C(O)C6O)CCC45C)CC3=CCC2C1(C)CAglycone:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)C.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 8.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 763.02 | Num_heavy_atoms: | 55 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
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 |
AD48781
Formula: C32H52O3
Smiles:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 7.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.77 | Num_heavy_atoms: | 35 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
