Glycoside
GD029363
Name:
NoneFormula:
C20H30O8N2SSmiles:
CC(CO[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@@]1(C)SC(N[C@@H]2C[C@@H]3CC[C@H]2C3)=NC1=OAglycone:
CC(CO)C1(C)SC(NC2CC3CCC2C3)=NC1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.53 | Num_heavy_atoms: | 31 |
| TPSA: | 157.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD19102
Formula: C14H22O2N2S
Smiles:
CC(CO)C1(C)SC(NC2CC3CCC2C3)=NC1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.41 | Num_heavy_atoms: | 19 |
| TPSA: | 61.69 | NumAromaticRings: | 0 |
