Glycoside
GD008085
Name:
NoneFormula:
C39H50O5N8Smiles:
CCC(=O)N(c1ccc(C(C)NC(=O)[C@@H]2O[C@H](c3nc4c(NC5CCCC5)ncnc4[nH]3)[C@H](O)[C@H]2O)cc1)C1CCN(CCc2ccccc2)CC1Aglycone:
CCC(=O)N(c1ccc(C(C)NC=O)cc1)C1CCN(CCc2ccccc2)CC1.c1nc(NC2CCCC2)c2nc[nH]c2n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 710.88 | Num_heavy_atoms: | 52 |
| TPSA: | 168.83 | NumAromaticRings: | 4 |
Unique Aglycone
AD06503
Formula: C25H33O2N3
Smiles:
CCC(=O)N(c1ccc(C(C)NC=O)cc1)C1CCN(CCc2ccccc2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 407.56 | Num_heavy_atoms: | 30 |
| TPSA: | 52.65 | NumAromaticRings: | 2 |
AD06504
Formula: C10H13N5
Smiles:
c1nc(NC2CCCC2)c2nc[nH]c2n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 66.49 | NumAromaticRings: | 2 |
