Glycoside
GD005291
Name:
NoneFormula:
C47H82O17N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]3O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2OC(=O)O[C@]12CAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12CSugarmoiety:
COC1(C)CC(O)OC(C)C1OC1OC(C)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 947.17 | Num_heavy_atoms: | 66 |
| TPSA: | 219.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04518
Formula: C31H53O11N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 615.76 | Num_heavy_atoms: | 43 |
| TPSA: | 150.29 | NumAromaticRings: | 0 |
