Glycoside
GD120843
Name:
4-(acetyloxy)-5-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)-2-[(triphenylmethoxy)methyl]oxolan-3-yl acetateFormula:
C31H29O8N3Smiles:
CC(=O)OC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(n2ncc(O)nc2=O)C1OC(C)=OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.O=c1nc(O)cn[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 571.59 | Num_heavy_atoms: | 42 |
| TPSA: | 139.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD48589
Formula: C3H3O2N3
Smiles:
O=c1nc(O)cn[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.87 | NumAromaticRings: | 1 |
