Glycoside
GD001945
Name:
NoneFormula:
C35H45O6N9Smiles:
O=C(NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)NCCN1CCCCC1Aglycone:
O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCCN1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 687.8 | Num_heavy_atoms: | 50 |
| TPSA: | 199.02 | NumAromaticRings: | 4 |
Unique Aglycone
AD01894
Formula: C30H36O2N9
Smiles:
O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCCN1CCCCC1| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 554.68 | Num_heavy_atoms: | 41 |
| TPSA: | 137.74 | NumAromaticRings: | 3 |
