Glycoside
GD006948
Name:
NoneFormula:
C30H35O15NSSmiles:
CNCC[C@H](Oc1cccc2c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)ccc12)c1cccs1Aglycone:
CNCCC(Oc1cccc2c(O)c(O)ccc12)c1cccs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 681.67 | Num_heavy_atoms: | 47 |
| TPSA: | 254.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD05693
Formula: C18H19O3NS
Smiles:
CNCCC(Oc1cccc2c(O)c(O)ccc12)c1cccs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 329.42 | Num_heavy_atoms: | 23 |
| TPSA: | 61.72 | NumAromaticRings: | 3 |
