Glycoside
GD029689
Name:
NoneFormula:
C31H37O5N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.OC1CCCC1Nc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 587.68 | Num_heavy_atoms: | 43 |
| TPSA: | 166.68 | 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 |
AD19289
Formula: C24H25ON6
Smiles:
OC1CCCC1Nc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.51 | Num_heavy_atoms: | 31 |
| TPSA: | 96.53 | NumAromaticRings: | 3 |
