Glycoside
GD134361
Name:
3-{2-[(3,4,5-trihydroxy-6-{[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]ethyl}-3aH-indol-3a-ideFormula:
C21H28O11NSmiles:
OC1OC(OCC2OC(OCCc3c[n-]c4ccccc34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCCc1c[n-]c2ccccc12Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.45 | Num_heavy_atoms: | 33 |
| TPSA: | 192.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD54361
Formula: C10H10ON
Smiles:
OCCc1c[n-]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.2 | Num_heavy_atoms: | 12 |
| TPSA: | 34.33 | NumAromaticRings: | 2 |
