Glycoside
GD007080
Name:
NoneFormula:
C39H31O10N3Smiles:
Cc1cc(=O)oc2cc(OCc3cn([C@@H]4O[C@H](COC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)nn3)ccc12Aglycone:
COC(=O)c1ccccc1.Cc1cc(=O)oc2cc(OCC3=C[N]N=N3)ccc12.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 701.69 | Num_heavy_atoms: | 52 |
| TPSA: | 158.28 | NumAromaticRings: | 6 |
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 |
AD05344
Formula: C13H10O3N3
Smiles:
Cc1cc(=O)oc2cc(OCC3=C[N]N=N3)ccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.24 | Num_heavy_atoms: | 19 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
