Glycoside
GD103239
Name:
NoneFormula:
C22H34O5N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(=N)nc21Aglycone:
CC1CCC(C(C)C)C(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)C1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.55 | Num_heavy_atoms: | 33 |
| TPSA: | 161.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD43681
Formula: C16H23ON6
Smiles:
CC1CCC(C(C)C)C(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.4 | Num_heavy_atoms: | 23 |
| TPSA: | 111.22 | NumAromaticRings: | 1 |
