Glycoside
GD129724
Name:
({[2,3-dihydroxy-4-(1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino}oxy)sulfonic acidFormula:
C18H24O11N2S2Smiles:
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)C(O)C(O)Cc1c[nH]c2ccccc12Aglycone:
O=S(=O)(O)ON=C(S)C(O)C(O)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.53 | Num_heavy_atoms: | 33 |
| TPSA: | 222.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD52553
Formula: C12H14O6N2S2
Smiles:
O=S(=O)(O)ON=C(S)C(O)C(O)Cc1c[nH]c2ccccc12| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.39 | Num_heavy_atoms: | 22 |
| TPSA: | 132.21 | NumAromaticRings: | 2 |
