Glycoside
GD034665
Name:
NoneFormula:
C22H36O8N6S2Smiles:
CCCSC(CCO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)=NS(=O)(=O)CCCCCn1cnc2c(=O)[nH]c(N)nc21Aglycone:
CCCSC(CCO)=NS(=O)(=O)CCCCCn1cnc2c(=O)[nH]c(N)nc21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 576.7 | Num_heavy_atoms: | 38 |
| TPSA: | 215.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD22009
Formula: C16H26O4N6S2
Smiles:
CCCSC(CCO)=NS(=O)(=O)CCCCCn1cnc2c(=O)[nH]c(N)nc21| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 430.56 | Num_heavy_atoms: | 28 |
| TPSA: | 156.32 | NumAromaticRings: | 2 |
