Glycoside

GD127026
Name:
2-({2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethyl}amino)-3-phenylpropanoic acidFormula:
C26H35O11NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCNC(Cc1ccccc1)C(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCNC(Cc1ccccc1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.54 |
AlogP: | -0.69 | Num_rotatable_bonds: | 12 |
MolWt: | 537.56 | Num_heavy_atoms: | 38 |
TPSA: | 184.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD51420
Formula: C20H25O6N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCNC(Cc1ccccc1)C(=O)OHBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.4 |
AlogP: | 1.49 | Num_rotatable_bonds: | 9 |
MolWt: | 375.42 | Num_heavy_atoms: | 27 |
TPSA: | 105.09 | NumAromaticRings: | 1 |