Glycoside
GD154894
Name:
NoneFormula:
C33H34O13N2Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 666.64 | Num_heavy_atoms: | 48 |
| TPSA: | 195.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD54505
Formula: C24H22O5N2
Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 72.75 | NumAromaticRings: | 2 |
