Glycoside
GD000147
Name:
NoneFormula:
C27H32O6N7ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(COc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.04 | Num_heavy_atoms: | 40 |
| TPSA: | 172.75 | 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 |
AD00181
Formula: C20H20O2N6Cl
Smiles:
O=C(COc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1)NC1CCCCC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.86 | Num_heavy_atoms: | 28 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
