Glycoside
GD017139
Name:
NoneFormula:
C33H41O6N10ISmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCNC(=O)Cc5ccc(N)c(I)c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1ccc(CC(=O)NCCNC(=O)CCc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc1ISugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 15 |
| MolWt: | 800.66 | Num_heavy_atoms: | 50 |
| TPSA: | 244.66 | 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 |
AD12269
Formula: C26H29O2N9I
Smiles:
Nc1ccc(CC(=O)NCCNC(=O)CCc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc1I| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 626.48 | Num_heavy_atoms: | 38 |
| TPSA: | 174.51 | NumAromaticRings: | 3 |
