Glycoside
GD002151
Name:
NoneFormula:
C42H78O12N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)[C@H](N2CCCCC2)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N2CCCCC2)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 803.09 | Num_heavy_atoms: | 56 |
| TPSA: | 180.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD02085
Formula: C34H64O9N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N2CCCCC2)C(C)C(O)C1(C)O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 644.89 | Num_heavy_atoms: | 45 |
| TPSA: | 152.39 | NumAromaticRings: | 0 |
