Glycoside
GD022919
Name:
NoneFormula:
C33H42O8N8Smiles:
C[C@@H]1O[C@H](n2cc(CNc3cc4c5c(ccc6c5c3C(=O)N(CCCN(C)C)C6=O)C(=O)N(CCCN(C)C)C4=O)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCC5=C[N]N=N5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 678.75 | Num_heavy_atoms: | 49 |
| TPSA: | 193.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD09103
Formula: C27H31O4N8
Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCC5=C[N]N=N5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 531.6 | Num_heavy_atoms: | 39 |
| TPSA: | 132.09 | NumAromaticRings: | 2 |
