Glycoside
GD016735
Name:
NoneFormula:
C27H34O6N8SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CN(C)c1cccc2c(S(=O)(=O)NCCCNc3ncnc4c3N=C[N]4)cccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 598.69 | Num_heavy_atoms: | 42 |
| TPSA: | 183.83 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12010
Formula: C20H22O2N7S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NCCCNc3ncnc4c3N=C[N]4)cccc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 424.51 | Num_heavy_atoms: | 30 |
| TPSA: | 113.68 | NumAromaticRings: | 3 |
