Glycoside
GD031338
Name:
NoneFormula:
C22H37O8N7SSmiles:
CCCNC(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:
CCCNC(CCO)=NS(=O)(=O)CCCCCn1cnc2c(=O)[nH]c(N)nc21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 559.65 | Num_heavy_atoms: | 38 |
| TPSA: | 227.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD20201
Formula: C16H27O4N7S
Smiles:
CCCNC(CCO)=NS(=O)(=O)CCCCCn1cnc2c(=O)[nH]c(N)nc21| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 413.5 | Num_heavy_atoms: | 28 |
| TPSA: | 168.35 | NumAromaticRings: | 2 |
