Glycoside
GD112304
Name:
NoneFormula:
C29H24O8N2Smiles:
Cc1nnc([C@@H]2OC[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)o1Aglycone:
Cc1nnco1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.52 | Num_heavy_atoms: | 39 |
| TPSA: | 127.05 | NumAromaticRings: | 4 |
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 |
AD05575
Formula: C3H4ON2
Smiles:
Cc1nnco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.08 | Num_heavy_atoms: | 6 |
| TPSA: | 38.92 | NumAromaticRings: | 1 |
