Glycoside
GD023889
Name:
NoneFormula:
C36H51O7N9SSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCCCCNC(=O)CCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCC(=O)NCCCCNc3ncnc4c3N=C[N]4)cccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 20 |
| MolWt: | 753.93 | Num_heavy_atoms: | 53 |
| TPSA: | 212.93 | 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 |
AD16018
Formula: C29H39O3N8S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCC(=O)NCCCCNc3ncnc4c3N=C[N]4)cccc12| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 17 |
| MolWt: | 579.75 | Num_heavy_atoms: | 41 |
| TPSA: | 142.78 | NumAromaticRings: | 3 |
