Glycoside
GD021783
Name:
NoneFormula:
C62H87O18NSmiles:
C[C@@H]1CC[C@]2(OC1)O[C@@H]1CC3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](OCCNC(=O)OCC8c9ccccc9-c9ccccc98)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.O=C(NCCO)OCC1c2ccccc2-c2ccccc21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 12 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 1134.37 | Num_heavy_atoms: | 81 |
| TPSA: | 263.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD11728
Formula: C17H17O3N
Smiles:
O=C(NCCO)OCC1c2ccccc2-c2ccccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 283.33 | Num_heavy_atoms: | 21 |
| TPSA: | 58.56 | NumAromaticRings: | 2 |
