Glycoside
GD030210
Name:
NoneFormula:
C39H63O12NSmiles:
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC(=O)[C@@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1Aglycone:
CC1CCC2C(C)C3CCC4C(CC5C4CC(=O)C4CC(O)CCC45C)C3CN2C1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 737.93 | Num_heavy_atoms: | 52 |
| TPSA: | 198.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD19561
Formula: C27H43O2N
Smiles:
CC1CCC2C(C)C3CCC4C(CC5C4CC(=O)C4CC(O)CCC45C)C3CN2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
