Glycoside
...
GD116730

Name:
1-(acetyloxy)-9-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5,5,7a,9,11b-pentamethyl-3-methylidene-7-oxo-dodecahydro-1H-spiro[naphtho[2,1-c]oxepine-8,2'-oxirane]-3'-carboxylic acid

Formula:
C35H48O14

Smiles:
C=C1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C32OC2C(=O)O)C(C)(C)O1

Aglycone:
C=C1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC(C)(C(O)c2ccoc2)C32OC2C(=O)O)C(C)(C)O1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.74
AlogP: 2.02 Num_rotatable_bonds: 7
MolWt: 692.76 Num_heavy_atoms: 49
TPSA: 214.95 NumAromaticRings: 1

Unique Aglycone
AD46412
Formula: C29H38O9

Smiles:
C=C1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC(C)(C(O)c2ccoc2)C32OC2C(=O)O)C(C)(C)O1
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.69
AlogP: 4.2 Num_rotatable_bonds: 4
MolWt: 530.61 Num_heavy_atoms: 38
TPSA: 135.8 NumAromaticRings: 1

Sugarmoiety
SD00003

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