Glycoside
GD006624
Name:
NoneFormula:
C38H29O10N3Smiles:
O=C(OC[C@@H]1O[C@H](n2cc(COc3ccc4ccc(=O)oc4c3)nn2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1ccc2ccc(OCC3=C[N]N=N3)cc2o1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.16 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 687.66 | Num_heavy_atoms: | 51 |
| 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 |
AD05468
Formula: C12H8O3N3
Smiles:
O=c1ccc2ccc(OCC3=C[N]N=N3)cc2o1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.21 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
