Glycoside

GD149972
Name:
Vaticanol GFormula:
C48H42O14Smiles:
OCC1OC(Oc2cc(O)cc(C3c4c(O)cc(O)c5c4C(C4c6ccc(O)cc6C(c6ccc(O)cc6)C5c5cc(O)cc(O)c54)C3c3ccc(O)cc3)c2)C(O)C(O)C1OAglycone:
Oc1ccc(C2c3cc(O)ccc3C3c4c(O)cc(O)cc4C2c2c(O)cc(O)c4c2C3C(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 10 |
HBD: | 12 | FractionCSP3: | 0.25 |
AlogP: | 4.95 | Num_rotatable_bonds: | 6 |
MolWt: | 842.85 | Num_heavy_atoms: | 62 |
TPSA: | 261.22 | NumAromaticRings: | 6 |
Unique Aglycone
AD59942
Formula: C42H32O9
Smiles:
Oc1ccc(C2c3cc(O)ccc3C3c4c(O)cc(O)cc4C2c2c(O)cc(O)c4c2C3C(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)cc1HBA: | 9 | RingCount: | 9 |
HBD: | 9 | FractionCSP3: | 0.14 |
AlogP: | 7.47 | Num_rotatable_bonds: | 3 |
MolWt: | 680.71 | Num_heavy_atoms: | 51 |
TPSA: | 182.07 | NumAromaticRings: | 6 |