Glycoside
GD036552
Name:
NoneFormula:
C35H55O9NSmiles:
CC(=O)O[C@@H]1C[C@@H]2[C@H](CC=C3C[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]32C)[C@@H]2CC[C@H]([C@@](C)(O)C3=NC[C@H](C)CC3)[C@]21CAglycone:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2CCC(C(C)(O)C3=NCC(C)CC3)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 633.82 | Num_heavy_atoms: | 45 |
| TPSA: | 158.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD23041
Formula: C29H45O4N
Smiles:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2CCC(C(C)(O)C3=NCC(C)CC3)C12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 471.68 | Num_heavy_atoms: | 34 |
| TPSA: | 79.12 | NumAromaticRings: | 0 |
