Glycoside
GD130910
Name:
2-(hydroxymethyl)-5-{2-[3-(hydroxymethyl)phenyl]-3-methylbutyl}-1H-indol-3-yl 3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C27H33O9NSmiles:
CC(C)C(Cc1ccc2[nH]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1)c1cccc(CO)c1Aglycone:
CC(C)C(Cc1ccc2[nH]c(CO)c(OC=O)c2c1)c1cccc(CO)c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 515.56 | Num_heavy_atoms: | 37 |
| TPSA: | 172.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD53053
Formula: C22H25O4N
Smiles:
CC(C)C(Cc1ccc2[nH]c(CO)c(OC=O)c2c1)c1cccc(CO)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 367.45 | Num_heavy_atoms: | 27 |
| TPSA: | 82.55 | NumAromaticRings: | 3 |
