Glycoside
GD028408
Name:
NoneFormula:
C38H44O6N10Smiles:
O=C(NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)NC1CCN(c2ccccn2)CC1Aglycone:
O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NC1CCN(c2ccccn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 736.83 | Num_heavy_atoms: | 54 |
| TPSA: | 211.91 | NumAromaticRings: | 5 |
Unique Aglycone
AD13934
Formula: C33H35O2N10
Smiles:
O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NC1CCN(c2ccccn2)CC1| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 603.71 | Num_heavy_atoms: | 45 |
| TPSA: | 150.63 | NumAromaticRings: | 4 |
