Glycoside
...
GD134215

Name:
methyl 10,16-dihydroxy-9,13-dimethyl-3-[(3-methylbutanoyl)oxy]-4,11-dioxo-15-{[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:
C32H44O16

Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(OC3OC(CO)C(O)C(O)C3O)C1O)OC(=O)C(OC(=O)CC(C)C)C24

Aglycone:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 6 FractionCSP3: 0.81
AlogP: -1.58 Num_rotatable_bonds: 7
MolWt: 684.69 Num_heavy_atoms: 48
TPSA: 245.04 NumAromaticRings: 0

Unique Aglycone
AD14002
Formula: C26H34O11

Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.77
AlogP: 0.6 Num_rotatable_bonds: 4
MolWt: 522.55 Num_heavy_atoms: 37
TPSA: 165.89 NumAromaticRings: 0

Sugarmoiety
SD00003

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