Glycoside
GD021146
Name:
NoneFormula:
C32H39O5N7Smiles:
O=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
O=C(NCCN1CCCCC1)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 601.71 | Num_heavy_atoms: | 44 |
| TPSA: | 157.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD14496
Formula: C27H30ON7
Smiles:
O=C(NCCN1CCCCC1)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.59 | Num_heavy_atoms: | 35 |
| TPSA: | 96.61 | NumAromaticRings: | 3 |
