Glycoside
GD132065
Name:
3-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-7H-indol-7-ideFormula:
C21H27O12NSmiles:
O=C(OC1OC(CO)C(O)C(O)C1OC1OC(C[OH2+])C(O)C(O)C1O)c1c[n-]c2ccccc12Aglycone:
O=C(O)c1c[n-]c2ccccc12Sugarmoiety:
OCC1OC(O)C(OC2OC(C[OH2+])C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.44 | Num_heavy_atoms: | 34 |
| TPSA: | 212.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD53469
Formula: C9H6O2N
Smiles:
O=C(O)c1c[n-]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.15 | Num_heavy_atoms: | 12 |
| TPSA: | 51.4 | NumAromaticRings: | 2 |
