Glycoside
GD147816
Name:
2-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-({7-[6-(hydroxymethyl)-2H-1,3-benzodioxol-5-yl]-1-methyl-1H-indol-6-yl}oxy)oxane-3,4,5-triolFormula:
C34H43O17NSmiles:
CC1OC(OCC2OC(Oc3ccc4ccn(C)c4c3-c3cc4c(cc3CO)OCO4)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
Cn1ccc2ccc(O)c(-c3cc4c(cc3CO)OCO4)c21Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 737.71 | Num_heavy_atoms: | 52 |
| TPSA: | 260.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD51983
Formula: C17H15O4N
Smiles:
Cn1ccc2ccc(O)c(-c3cc4c(cc3CO)OCO4)c21| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.31 | Num_heavy_atoms: | 22 |
| TPSA: | 63.85 | NumAromaticRings: | 3 |
