Glycoside
GD109532
Name:
NoneFormula:
C33H50O7NSmiles:
Cc1c([C@H](C)[C@@H]2[NH2+]C[C@@H](C)C[C@H]2O)ccc2c1C[C@@H]1[C@H]2CC=C2C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]21CAglycone:
Cc1c(C(C)C2[NH2+]CC(C)CC2O)ccc2c1CC1C2CC=C2CC(O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.76 | Num_heavy_atoms: | 41 |
| TPSA: | 136.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD44547
Formula: C27H40O2N
Smiles:
Cc1c(C(C)C2[NH2+]CC(C)CC2O)ccc2c1CC1C2CC=C2CC(O)CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 410.62 | Num_heavy_atoms: | 30 |
| TPSA: | 57.07 | NumAromaticRings: | 1 |
