Glycoside
GD021338
Name:
NoneFormula:
C23H30O11N4SSmiles:
CCOC(=O)C(=O)C=C(C)Nc1c(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(SC)[nH]c1=OAglycone:
CCOC(=O)C(=O)C=C(C)Nc1c(N)nc(SC)[nH]c1=OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 570.58 | Num_heavy_atoms: | 39 |
| TPSA: | 201.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD14608
Formula: C12H16O4N4S
Smiles:
CCOC(=O)C(=O)C=C(C)Nc1c(N)nc(SC)[nH]c1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.35 | Num_heavy_atoms: | 21 |
| TPSA: | 127.17 | NumAromaticRings: | 1 |
