Glycoside
GD148401
Name:
N-[2-(1H-indol-3-yl)-1-{[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]sulfanyl}ethylidene]sulfamic acidFormula:
C16H20O8N2S2Smiles:
O=S(=O)(O)N=C(Cc1c[nH]c2ccccc12)SCC1OC(O)C(O)C(O)C1OAglycone:
CSC(Cc1c[nH]c2ccccc12)=NS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.48 | Num_heavy_atoms: | 28 |
| TPSA: | 172.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD59385
Formula: C11H12O3N2S2
Smiles:
CSC(Cc1c[nH]c2ccccc12)=NS(=O)(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.36 | Num_heavy_atoms: | 18 |
| TPSA: | 82.52 | NumAromaticRings: | 2 |
