Glycoside

GD152113
Name:
17-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,â¶.0²,¹â·.0â¸,¹³]nonadec-9-en-3-yl 3,4-dimethylpent-2-enoateFormula:
C34H46O16Smiles:
CC(=O)OC12OCC34C(CC5C(C)=C(OC6OC(CO)C(O)C(O)C6O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24Aglycone:
CC(=O)OC12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.76 |
AlogP: | -1.24 | Num_rotatable_bonds: | 7 |
MolWt: | 710.73 | Num_heavy_atoms: | 50 |
TPSA: | 245.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD60598
Formula: C28H36O11
Smiles:
CC(=O)OC12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24HBA: | 11 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.71 |
AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
MolWt: | 548.59 | Num_heavy_atoms: | 39 |
TPSA: | 165.89 | NumAromaticRings: | 0 |