Glycoside
GD114386
Name:
2-(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acidFormula:
C22H29O15NSmiles:
O=C(O)CC1(O)C(O)=Nc2ccc(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc21Aglycone:
O=C(O)CC1(O)C(O)=Nc2ccc(O)cc21Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 547.47 | Num_heavy_atoms: | 38 |
| TPSA: | 268.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD45025
Formula: C10H9O5N
Smiles:
O=C(O)CC1(O)C(O)=Nc2ccc(O)cc21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.18 | Num_heavy_atoms: | 16 |
| TPSA: | 110.35 | NumAromaticRings: | 1 |
