Glycoside
GD110008
Name:
NoneFormula:
C30H31O14NSSmiles:
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1Aglycone:
CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1cscn1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 661.64 | Num_heavy_atoms: | 46 |
| TPSA: | 193.06 | NumAromaticRings: | 3 |
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 |
AD44590
Formula: C16H13O5NS
Smiles:
CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1cscn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.35 | Num_heavy_atoms: | 23 |
| TPSA: | 78.63 | NumAromaticRings: | 3 |
