Glycoside
GD091501
Name:
NoneFormula:
C19H22O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(C3=CCOC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=c1[nH]cc(C2=CCOC2)c(=O)[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 152.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD39936
Formula: C8H8O3N2
Smiles:
O=c1[nH]cc(C2=CCOC2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 74.95 | NumAromaticRings: | 1 |
