Glycoside
GD151074
Name:
3,4-dihydroxy-5-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-3-[(1H-indol-3-yl)methyl]oxolan-2-oneFormula:
C21H27O11NSmiles:
O=C1OC(C(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C1(O)Cc1c[nH]c2ccccc12Aglycone:
O=C1OC(C(O)CO)C(O)C1(O)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.44 | Num_heavy_atoms: | 33 |
| TPSA: | 202.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD60292
Formula: C15H17O6N
Smiles:
O=C1OC(C(O)CO)C(O)C1(O)Cc1c[nH]c2ccccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 307.3 | Num_heavy_atoms: | 22 |
| TPSA: | 123.01 | NumAromaticRings: | 2 |
