Glycoside
GD029831
Name:
NoneFormula:
C20H29O3N5SSmiles:
CCCSC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1.CCCSCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.55 | Num_heavy_atoms: | 29 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00439
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD03252
Formula: C4H10S
Smiles:
CCCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.19 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
