Glycoside
GD113894
Name:
NoneFormula:
C38H27O7N5Smiles:
O=C(OC[C@H]1O[C@@H](n2nnc3cc4nc5ccccc5nc4cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.c1ccc2nc3cc4c(cc3nc2c1)[N]N=N4Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 665.66 | Num_heavy_atoms: | 50 |
| TPSA: | 144.62 | NumAromaticRings: | 7 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44443
Formula: C12H6N5
Smiles:
c1ccc2nc3cc4c(cc3nc2c1)[N]N=N4| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.22 | Num_heavy_atoms: | 17 |
| TPSA: | 64.6 | NumAromaticRings: | 3 |
