Glycoside
GD015028
Name:
NoneFormula:
C33H40O7N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COC(=O)C(Cc1ccccc1)NC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 14 |
| MolWt: | 660.73 | Num_heavy_atoms: | 48 |
| TPSA: | 215.84 | 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 |
AD10986
Formula: C26H28O3N7
Smiles:
COC(=O)C(Cc1ccccc1)NC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 486.56 | Num_heavy_atoms: | 36 |
| TPSA: | 145.69 | NumAromaticRings: | 3 |
