Glycoside
...
GD127674

Name:
methyl 3-{[4-(acetyloxy)-3-ethyl-4-methylpent-2-enoyl]oxy}-15,16-dihydroxy-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:
C37H50O18

Smiles:
CCC(=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(OC4OC(CO)C(O)C(O)C4O)=CC3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14)C(C)(C)OC(C)=O

Aglycone:
CCC(=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14)C(C)(C)OC(C)=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 6 FractionCSP3: 0.76
AlogP: -1.66 Num_rotatable_bonds: 9
MolWt: 782.79 Num_heavy_atoms: 55
TPSA: 271.34 NumAromaticRings: 0

Unique Aglycone
AD51699
Formula: C31H40O13

Smiles:
CCC(=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14)C(C)(C)OC(C)=O
HBA: 13 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 1.08 Num_rotatable_bonds: 6
MolWt: 620.65 Num_heavy_atoms: 44
TPSA: 192.19 NumAromaticRings: 0

Sugarmoiety
SD00003

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