Glycoside
GD119809
Name:
2-(3,4-dihydroxyoxolan-2-yl)-4,7-dihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-1H-indol-6-oneFormula:
C27H29O13NSmiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)c2cc(C3OCC(O)C3O)[nH]c2C(O)(C2OC(CO)C(O)C(O)C2O)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)c2cc[nH]c2C(O)C1=OSugarmoiety:
OC1COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 575.52 | Num_heavy_atoms: | 41 |
| TPSA: | 250.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD48060
Formula: C17H13O5N
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)c2cc[nH]c2C(O)C1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.29 | Num_heavy_atoms: | 23 |
| TPSA: | 110.62 | NumAromaticRings: | 2 |
