Glycoside
...
GD149493

Name:
methyl 3-{[4-(acetyloxy)-4-methylpent-2-enoyl]oxy}-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[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:
C35H46O18

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=CC(C)(C)OC(C)=O)C24

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 6 FractionCSP3: 0.74
AlogP: -2.29 Num_rotatable_bonds: 8
MolWt: 754.74 Num_heavy_atoms: 53
TPSA: 271.34 NumAromaticRings: 0

Unique Aglycone
AD59771
Formula: C29H36O13

Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=CC(C)(C)OC(C)=O)C24
HBA: 13 RingCount: 5
HBD: 3 FractionCSP3: 0.69
AlogP: 0.45 Num_rotatable_bonds: 5
MolWt: 592.59 Num_heavy_atoms: 42
TPSA: 192.19 NumAromaticRings: 0

Sugarmoiety
SD00003

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