Glycoside
...
GD152701

Name:
methyl 15,16-dihydroxy-3-[(3-hydroxy-3-methylbutanoyl)oxy]-9,13-dimethyl-4,10-dioxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

Formula:
C32H44O17

Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(OC6OC(CO)C(O)C(O)C6O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)(C)O)C24

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 7 FractionCSP3: 0.81
AlogP: -3.17 Num_rotatable_bonds: 7
MolWt: 700.69 Num_heavy_atoms: 49
TPSA: 265.27 NumAromaticRings: 0

Unique Aglycone
AD60778
Formula: C26H34O12

Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)(C)O)C24
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.77
AlogP: -0.43 Num_rotatable_bonds: 4
MolWt: 538.55 Num_heavy_atoms: 38
TPSA: 186.12 NumAromaticRings: 0

Sugarmoiety
SD00003

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