Glycoside
...
GD143387

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

Formula:
C37H50O17

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

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 6 FractionCSP3: 0.76
AlogP: -1.24 Num_rotatable_bonds: 9
MolWt: 766.79 Num_heavy_atoms: 54
TPSA: 262.11 NumAromaticRings: 0

Unique Aglycone
AD57675
Formula: C31H40O12

Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)CC(C)=O)C24
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 1.5 Num_rotatable_bonds: 6
MolWt: 604.65 Num_heavy_atoms: 43
TPSA: 182.96 NumAromaticRings: 0

Sugarmoiety
SD00003

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