Glycoside
GD018887
Name:
SOLAMARGINEFormula:
C45H73O15NSmiles:
C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2CAglycone:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 868.07 | Num_heavy_atoms: | 61 |
| TPSA: | 238.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD07171
Formula: C27H43O2N
Smiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 41.49 | NumAromaticRings: | 0 |
