Glycoside
GD002082
Name:
NoneFormula:
C42H54O12Smiles:
C[C@H](CCCCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)O[C@@H]1O[C@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1Aglycone:
CC(O)CCCCC(=O)OC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 7.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 750.88 | Num_heavy_atoms: | 54 |
| TPSA: | 134.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD02021
Formula: C22H36O7
Smiles:
CC(O)CCCCC(=O)OC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 83.45 | NumAromaticRings: | 0 |
