Glycoside
GD001207
Name:
HupehemonosideFormula:
C33H53O8NSmiles:
C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]54C)[C@H]3CC[C@H]1[C@]2(C)OAglycone:
CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 591.79 | Num_heavy_atoms: | 42 |
| TPSA: | 139.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD01255
Formula: C27H43O3N
Smiles:
CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 60.77 | NumAromaticRings: | 0 |
