Glycoside
...
GD136487

Name:
methyl 3-{[5-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-15,16-dihydroxy-9,13-dimethyl-4,12-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-10-ene-17-carboxylate

Formula:
C36H48O18

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

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 6 FractionCSP3: 0.75
AlogP: -2.19 Num_rotatable_bonds: 9
MolWt: 768.76 Num_heavy_atoms: 54
TPSA: 271.34 NumAromaticRings: 0

Unique Aglycone
AD55174
Formula: C30H38O13

Smiles:
COC(=O)C12OCC34C(CC5C(C)C=C(O)C(=O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)COC(C)=O)C24
HBA: 13 RingCount: 5
HBD: 3 FractionCSP3: 0.7
AlogP: 0.55 Num_rotatable_bonds: 6
MolWt: 606.62 Num_heavy_atoms: 43
TPSA: 192.19 NumAromaticRings: 0

Sugarmoiety
SD00003

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