Glycoside

GD114429
Name:
3-{[(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ureaFormula:
C15H21O8N3Smiles:
COc1cc(C=NNC(O)=NC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=NNC(=N)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 2 |
HBD: | 7 | FractionCSP3: | 0.47 |
AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
MolWt: | 371.35 | Num_heavy_atoms: | 26 |
TPSA: | 176.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD45053
Formula: C9H11O3N3
Smiles:
COc1cc(C=NNC(=N)O)ccc1OHBA: | 6 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.11 |
AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
MolWt: | 209.21 | Num_heavy_atoms: | 15 |
TPSA: | 97.93 | NumAromaticRings: | 1 |