Glycoside
GD003148
Name:
NoneFormula:
C34H32O7N7BrSmiles:
O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1)Nc1ccccc1Aglycone:
O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2N=C[N]3)cc1)Nc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 730.58 | Num_heavy_atoms: | 49 |
| TPSA: | 188.9 | NumAromaticRings: | 6 |
Unique Aglycone
AD02891
Formula: C29H23O3N7Br
Smiles:
O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2N=C[N]3)cc1)Nc1ccccc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 597.45 | Num_heavy_atoms: | 40 |
| TPSA: | 127.62 | NumAromaticRings: | 5 |
