Glycoside
GD012713
Name:
NoneFormula:
C33H53O14N11Smiles:
CC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O[C@H](C(N)=O)[C@H](C)OAglycone:
CC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)OC(C(N)=O)C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.67 |
| AlogP: | -7.24 | Num_rotatable_bonds: | 20 |
| MolWt: | 827.85 | Num_heavy_atoms: | 58 |
| TPSA: | 407.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD09557
Formula: C27H43O9N11
Smiles:
CC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)OC(C(N)=O)C(C)O| HBA: | 20 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.59 |
| AlogP: | -4.67 | Num_rotatable_bonds: | 18 |
| MolWt: | 665.71 | Num_heavy_atoms: | 47 |
| TPSA: | 330.9 | NumAromaticRings: | 1 |
