Glycoside
GD109862
Name:
NoneFormula:
C31H29O8N3Smiles:
CC(=O)O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H]1OC(C)=OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.O=c1cn[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 571.59 | Num_heavy_atoms: | 42 |
| TPSA: | 138.81 | 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 |
AD07645
Formula: C3H3O2N3
Smiles:
O=c1cn[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.61 | NumAromaticRings: | 1 |
