Glycoside
GD144354
Name:
2-(hydroxymethyl)-6-[(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-1H-indol-3-yl)oxy]oxane-3,4,5-triolFormula:
C20H27O11NSSmiles:
OCC1OC(Oc2c(SC3OC(CO)C(O)C(O)C3O)[nH]c3ccccc23)C(O)C(O)C1OAglycone:
Oc1c(S)[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.5 | Num_heavy_atoms: | 33 |
| TPSA: | 205.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD58013
Formula: C8H7ONS
Smiles:
Oc1c(S)[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.22 | Num_heavy_atoms: | 11 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
