Glycoside
GD004544
Name:
NoneFormula:
C29H41O7N11Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.N=C(N)NCCCC(NC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 16 |
| MolWt: | 655.72 | Num_heavy_atoms: | 47 |
| TPSA: | 288.74 | NumAromaticRings: | 3 |
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 |
AD03954
Formula: C22H29O3N10
Smiles:
N=C(N)NCCCC(NC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1)C(=O)O| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 481.54 | Num_heavy_atoms: | 35 |
| TPSA: | 218.59 | NumAromaticRings: | 2 |
