Glycoside
GD017183
Name:
TEMURTIDEFormula:
C20H34O12N4Smiles:
CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](C)OAglycone:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -4.96 | Num_rotatable_bonds: | 13 |
| MolWt: | 522.51 | Num_heavy_atoms: | 36 |
| TPSA: | 267.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD12295
Formula: C12H21O7N3
Smiles:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 319.31 | Num_heavy_atoms: | 22 |
| TPSA: | 179.05 | NumAromaticRings: | 0 |
