Glycoside
GD130245
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 1H-indole-3-carboxylateFormula:
C21H27O12NSmiles:
O=C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)c1c[nH]c2ccccc12Aglycone:
O=C(O)c1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.44 | Num_heavy_atoms: | 34 |
| TPSA: | 211.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD45110
Formula: C9H7O2N
Smiles:
O=C(O)c1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 53.09 | NumAromaticRings: | 2 |
