Glycoside
GD029130
Name:
NoneFormula:
C36H48O15N12Smiles:
C[C@@H]1O[C@H](n2cc(CNC(=O)c3cc(C(=O)NCc4cn([C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)nn4)cc(C(=O)NCc4cn([C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)nn4)c3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(NCC1=C[N]N=N1)c1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.58 |
| AlogP: | -5.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 888.85 | Num_heavy_atoms: | 63 |
| TPSA: | 389.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD15020
Formula: C18H15O3N12
Smiles:
O=C(NCC1=C[N]N=N1)c1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 447.4 | Num_heavy_atoms: | 33 |
| TPSA: | 203.76 | NumAromaticRings: | 1 |
