Glycoside
GD013218
Name:
NoneFormula:
C29H41O9NSmiles:
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc3c(c1O2)CNC3=OAglycone:
CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)CNC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 547.65 | Num_heavy_atoms: | 39 |
| TPSA: | 157.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD09891
Formula: C23H31O4N
Smiles:
CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)CNC3=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 385.5 | Num_heavy_atoms: | 28 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
