Glycoside
...
GD130988

Name:
methyl 3-[(4,5-dimethylhexa-1,3-dien-2-yl)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:
C35H48O15

Smiles:
C=C(C=C(C)C(C)C)OC1C(=O)OC2CC3C(C)C=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14

Aglycone:
C=C(C=C(C)C(C)C)OC1C(=O)OC2CC3C(C)C=C(O)C(=O)C3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.74
AlogP: -0.75 Num_rotatable_bonds: 8
MolWt: 708.75 Num_heavy_atoms: 50
TPSA: 227.97 NumAromaticRings: 0

Unique Aglycone
AD53082
Formula: C29H38O10

Smiles:
C=C(C=C(C)C(C)C)OC1C(=O)OC2CC3C(C)C=C(O)C(=O)C3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 0.69
AlogP: 2.0 Num_rotatable_bonds: 5
MolWt: 546.61 Num_heavy_atoms: 39
TPSA: 148.82 NumAromaticRings: 0

Sugarmoiety
SD00003

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