Glycoside
GD001435
Name:
NoneFormula:
C40H73O13NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCC3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 776.02 | Num_heavy_atoms: | 54 |
| TPSA: | 197.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD01444
Formula: C32H59O10N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCC3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 617.82 | Num_heavy_atoms: | 43 |
| TPSA: | 169.38 | NumAromaticRings: | 0 |
