Glycoside
GD127848
Name:
3-[8-hydroxy-4,6-dimethyl-4-(3-methylidenepent-4-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3-trithiocan-5-yl]-N-{4-[3-(methylsulfanyl)prop-2-enamido]butyl}prop-2-enamideFormula:
C30H48O9N2S4Smiles:
C=CC(=C)CCC1(C)SSSC(O)C(OC2OC(CO)C(O)C(O)C2O)C(C)C1C=CC(O)=NCCCCN=C(O)C=CSCAglycone:
C=CC(=C)CCC1(C)SSSC(O)C(O)C(C)C1C=CC(O)=NCCCCN=C(O)C=CSCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 16 |
| MolWt: | 708.99 | Num_heavy_atoms: | 45 |
| TPSA: | 184.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD51781
Formula: C24H38O4N2S4
Smiles:
C=CC(=C)CCC1(C)SSSC(O)C(O)C(C)C1C=CC(O)=NCCCCN=C(O)C=CSC| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 546.85 | Num_heavy_atoms: | 34 |
| TPSA: | 105.64 | NumAromaticRings: | 0 |
