Glycoside
GD004001
Name:
NoneFormula:
C33H50O10N8Smiles:
CC(C)(C)OC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccn([C@@H]2O[C@H](COC(=O)C34CC5CC(CC(C5)C3)C4)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CC(C)(C)OC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1cc[nH]c(=O)n1.COC(=O)C12CC3CC(CC(C3)C1)C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 718.81 | Num_heavy_atoms: | 51 |
| TPSA: | 269.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD01983
Formula: C17H28O5N8
Smiles:
CC(C)(C)OC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1cc[nH]c(=O)n1| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 424.46 | Num_heavy_atoms: | 30 |
| TPSA: | 204.18 | NumAromaticRings: | 1 |
AD03557
Formula: C12H18O2
Smiles:
COC(=O)C12CC3CC(CC(C3)C1)C2| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.27 | Num_heavy_atoms: | 14 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
