Glycoside
GD017218
Name:
NoneFormula:
C55H83O18NSmiles:
COc1ccc(C(=O)NCCO[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CO)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6[C@@H]7C[C@@H]8O[C@]9(CC[C@H](C)CO9)[C@H](C)[C@H]8[C@@]7(C)CC[C@H]65)C4)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COc1ccc(C(=O)NCCO)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 1046.26 | Num_heavy_atoms: | 74 |
| TPSA: | 263.01 | NumAromaticRings: | 1 |
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 |
AD12313
Formula: C10H13O3N
Smiles:
COc1ccc(C(=O)NCCO)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
