Glycoside

GD137778
Name:
Tamarixetin 3-(6-Caffeoylgalactoside)Formula:
C31H28O15Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)cc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.23 |
AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
MolWt: | 640.55 | Num_heavy_atoms: | 46 |
TPSA: | 246.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD03173
Formula: C16H12O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OHBA: | 7 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.06 |
AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
MolWt: | 316.27 | Num_heavy_atoms: | 23 |
TPSA: | 120.36 | NumAromaticRings: | 3 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |