Glycoside
GD002914
Name:
NoneFormula:
C35H42O5N8Smiles:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4C3O[C@H](C(=O)NCCN4CCOCC4)[C@H](O)[C@H]3O)c3ccccc32)c1Aglycone:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1.O=CNCCN1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 654.77 | Num_heavy_atoms: | 48 |
| TPSA: | 151.82 | NumAromaticRings: | 5 |
Unique Aglycone
AD02716
Formula: C24H23N6
Smiles:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.49 | Num_heavy_atoms: | 30 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
AD02717
Formula: C7H14O2N2
Smiles:
O=CNCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 158.2 | Num_heavy_atoms: | 11 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
