Glycoside
GD129259
Name:
4-hydroxy-3-{2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl}-3aH-indol-3a-ideFormula:
C16H19O10N2S2Smiles:
O=S(=O)(O)ON=C(Cc1c[n-]c2cccc(O)c12)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1c[n-]c2cccc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.47 | Num_heavy_atoms: | 30 |
| TPSA: | 200.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD52365
Formula: C10H9O5N2S2
Smiles:
O=S(=O)(O)ON=C(S)Cc1c[n-]c2cccc(O)c12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.33 | Num_heavy_atoms: | 19 |
| TPSA: | 110.29 | NumAromaticRings: | 2 |
