Glycoside
...
GD133116

Name:
7-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-(carboxymethoxy)-8-hydroxy-3-methoxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

Formula:
C48H72O20

Smiles:
COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)C(O)C2OC1OCC(=O)O

Aglycone:
COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C(O)C2OC1OCC(=O)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 8 FractionCSP3: 0.88
AlogP: 2.33 Num_rotatable_bonds: 11
MolWt: 969.08 Num_heavy_atoms: 68
TPSA: 303.96 NumAromaticRings: 0

Unique Aglycone
AD53892
Formula: C42H62O15

Smiles:
COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C(O)C2OC1OCC(=O)O
HBA: 15 RingCount: 7
HBD: 5 FractionCSP3: 0.86
AlogP: 5.07 Num_rotatable_bonds: 9
MolWt: 806.94 Num_heavy_atoms: 57
TPSA: 224.81 NumAromaticRings: 0

Sugarmoiety
SD00003

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