Glycoside

GD144633
Name:
4-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(ethylamino)-5-methoxybenzoic acidFormula:
C32H37O14NSmiles:
CCNc1cc(OC2OC(COC(=O)c3cc(OC)c(O)c(OCCc4ccccc4)c3O)C(O)C(O)C2O)c(OC)cc1C(=O)OAglycone:
CCNc1cc(O)c(OC)cc1C(=O)O.COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.38 |
AlogP: | 1.91 | Num_rotatable_bonds: | 14 |
MolWt: | 659.64 | Num_heavy_atoms: | 47 |
TPSA: | 222.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD47588
Formula: C17H18O6
Smiles:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1OHBA: | 6 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.24 |
AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
MolWt: | 318.32 | Num_heavy_atoms: | 23 |
TPSA: | 85.22 | NumAromaticRings: | 2 |
AD50330
Formula: C10H13O4N
Smiles:
CCNc1cc(O)c(OC)cc1C(=O)OHBA: | 5 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.3 |
AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
MolWt: | 211.22 | Num_heavy_atoms: | 15 |
TPSA: | 78.79 | NumAromaticRings: | 1 |