Glycoside
GD013756
Name:
NoneFormula:
C31H37O11NSSmiles:
CC(=O)OCC1OC(SC2C=C[C@@H]3[C@@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CN1CCC23c4c5ccc(O)c4OC2C(S)C=CC3C1C5.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 631.7 | Num_heavy_atoms: | 44 |
| TPSA: | 147.13 | 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 |
AD00896
Formula: C17H19O2NS
Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(S)C=CC3C1C5| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 301.41 | Num_heavy_atoms: | 21 |
| TPSA: | 32.7 | NumAromaticRings: | 1 |
