Glycoside
GD014670
Name:
NoneFormula:
C49H58O5N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc4c(c(NCC(c5ccccc5)c5ccccc5)n3)N=C[N]4)cc2)cc(C(C)(C)C)c1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 839.05 | Num_heavy_atoms: | 62 |
| TPSA: | 175.55 | NumAromaticRings: | 6 |
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 |
AD10764
Formula: C42H46ON7
Smiles:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc4c(c(NCC(c5ccccc5)c5ccccc5)n3)N=C[N]4)cc2)cc(C(C)(C)C)c1| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 9.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 664.88 | Num_heavy_atoms: | 50 |
| TPSA: | 105.4 | NumAromaticRings: | 5 |
