Glycoside

GD139890
Name:
9,10-bis(acetyloxy)-2-(furan-3-yl)-10b-methyl-4-oxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-yl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C38H46O16Smiles:
COc1cc(C=CC(=O)OC2CC(OC(C)=O)C(OC(C)=O)C3C2CCC2C(=O)OC(c4ccoc4)CC23C)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CC(=O)OC2CC(OC(C)=O)C(OC(C)=O)C3C2CCC2C(=O)OC(c4ccoc4)CC23C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.58 |
AlogP: | 2.0 | Num_rotatable_bonds: | 10 |
MolWt: | 758.77 | Num_heavy_atoms: | 54 |
TPSA: | 226.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD56417
Formula: C32H36O11
Smiles:
COc1cc(C=CC(=O)OC2CC(OC(C)=O)C(OC(C)=O)C3C2CCC2C(=O)OC(c4ccoc4)CC23C)ccc1OHBA: | 11 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.5 |
AlogP: | 4.52 | Num_rotatable_bonds: | 7 |
MolWt: | 596.63 | Num_heavy_atoms: | 43 |
TPSA: | 147.8 | NumAromaticRings: | 2 |