Glycoside
GD111977
Name:
NoneFormula:
C33H30O8N2Smiles:
C[C@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O[C@H]1N1C=CCC(C(N)=O)=C1Aglycone:
COC(=O)c1ccccc1.NC(=O)C1=CNC=CC1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.61 | Num_heavy_atoms: | 43 |
| TPSA: | 134.46 | NumAromaticRings: | 3 |
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 |
AD02853
Formula: C6H8ON2
Smiles:
NC(=O)C1=CNC=CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
