Glycoside
...
GD120195

Name:
15,16-dihydroxy-9,13-dimethyl-3-[(3-methylhex-2-enoyl)oxy]-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-carboxylic acid

Formula:
C33H44O16

Smiles:
CCCC(C)=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)O)OCC23C14

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

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 7 FractionCSP3: 0.76
AlogP: -1.68 Num_rotatable_bonds: 8
MolWt: 696.7 Num_heavy_atoms: 49
TPSA: 256.04 NumAromaticRings: 0

Unique Aglycone
AD48249
Formula: C27H34O11

Smiles:
CCCC(C)=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)O)OCC23C14
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.7
AlogP: 1.06 Num_rotatable_bonds: 5
MolWt: 534.56 Num_heavy_atoms: 38
TPSA: 176.89 NumAromaticRings: 0

Sugarmoiety
SD00003

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