Glycoside
GD017905
Name:
NoneFormula:
C50H77O16NSmiles:
C=CC=CC(=O)NC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC=CC(=O)NC.CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 948.16 | Num_heavy_atoms: | 67 |
| TPSA: | 244.55 | NumAromaticRings: | 0 |
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 |
AD12724
Formula: C6H9ON
Smiles:
C=CC=CC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 111.14 | Num_heavy_atoms: | 8 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
