Glycoside

GD143574
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C27H28O17Smiles:
CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC(=O)C4OC(O)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 5 |
HBD: | 10 | FractionCSP3: | 0.41 |
AlogP: | -2.51 | Num_rotatable_bonds: | 5 |
MolWt: | 624.5 | Num_heavy_atoms: | 44 |
TPSA: | 286.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD57740
Formula: C16H10O8
Smiles:
O=COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1HBA: | 8 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
MolWt: | 330.25 | Num_heavy_atoms: | 24 |
TPSA: | 137.43 | NumAromaticRings: | 3 |