Glycoside
...
GD120712

Name:
methyl 3-[(3,4-dimethylpent-2-enoyl)oxy]-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

Formula:
C34H48O16

Smiles:
COC(=O)C12OCC34C(CC5C(C)=CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24

Aglycone:
COC(=O)C12OCC34C(CC5C(C)=CC(O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 7 FractionCSP3: 0.79
AlogP: -2.15 Num_rotatable_bonds: 7
MolWt: 712.74 Num_heavy_atoms: 50
TPSA: 248.2 NumAromaticRings: 0

Unique Aglycone
AD48522
Formula: C28H38O11

Smiles:
COC(=O)C12OCC34C(CC5C(C)=CC(O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.75
AlogP: 0.03 Num_rotatable_bonds: 4
MolWt: 550.6 Num_heavy_atoms: 39
TPSA: 169.05 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O