Glycoside

GD133742
Name:
2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,â·.0¹â°,¹âµ]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triolFormula:
C34H32O11Smiles:
OCC1OC(Oc2cc(O)c3c(c2)C2C(c4ccc(O)cc4)c4c(O)cc(O)cc4C2C3c2ccc(O)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C2c3c(O)cc(O)cc3C3C(c4ccc(O)cc4)c4c(O)cc(O)cc4C23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 0.29 |
AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
MolWt: | 616.62 | Num_heavy_atoms: | 45 |
TPSA: | 200.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD46942
Formula: C28H22O6
Smiles:
Oc1ccc(C2c3c(O)cc(O)cc3C3C(c4ccc(O)cc4)c4c(O)cc(O)cc4C23)cc1HBA: | 6 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.14 |
AlogP: | 5.08 | Num_rotatable_bonds: | 2 |
MolWt: | 454.48 | Num_heavy_atoms: | 34 |
TPSA: | 121.38 | NumAromaticRings: | 4 |