Glycoside
GD015381
Name:
NoneFormula:
C29H30O6N8SSmiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C=SAglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C=SSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 618.68 | Num_heavy_atoms: | 44 |
| TPSA: | 196.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD11183
Formula: C24H21O2N8S
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C=S| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 485.55 | Num_heavy_atoms: | 35 |
| TPSA: | 134.83 | NumAromaticRings: | 3 |
