Glycoside

GD152466
Name:
NoneFormula:
C40H37O15Smiles:
COc1cc(C2Oc3cc(O)cc4c3C(=C2OC2OC(COC(=O)C=Cc3ccc([OH2+])cc3)C(O)C(O)C2O)C=C(c2ccc(O)cc2)O4)cc(OC)c1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2Oc3cc(O)cc4c3C(=C2O)C=C(c2ccc(O)cc2)O4)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.23 |
AlogP: | 3.62 | Num_rotatable_bonds: | 10 |
MolWt: | 757.72 | Num_heavy_atoms: | 55 |
TPSA: | 225.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
MolWt: | 179.19 | Num_heavy_atoms: | 13 |
TPSA: | 49.2 | NumAromaticRings: | 1 |
AD54126
Formula: C25H20O8
Smiles:
COc1cc(C2Oc3cc(O)cc4c3C(=C2O)C=C(c2ccc(O)cc2)O4)cc(OC)c1OHBA: | 8 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.12 |
AlogP: | 4.66 | Num_rotatable_bonds: | 4 |
MolWt: | 448.43 | Num_heavy_atoms: | 33 |
TPSA: | 117.84 | NumAromaticRings: | 3 |