Glycoside
GD000524
Name:
NoneFormula:
C40H77O12N3Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(CN(C)C)[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)(O)C[C@H](C)CN[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)CNC(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1(O)CN(C)COther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 792.07 | Num_heavy_atoms: | 55 |
| TPSA: | 192.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD00579
Formula: C29H56O9N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 576.77 | Num_heavy_atoms: | 40 |
| TPSA: | 161.18 | NumAromaticRings: | 0 |
