Glycoside
...
GD138591

Name:
3,5-dimethyl 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}-8-hydroxy-3-methoxy-2-(2-methoxy-2-oxoethoxy)-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylate

Formula:
C51H78O20

Smiles:
COC(=O)COC1OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OC(C(=O)OC)C2OC1(OC)C(=O)OC

Aglycone:
COC(=O)COC1OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(C(=O)OC)C2OC1(OC)C(=O)OC

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 5 FractionCSP3: 0.88
AlogP: 2.59 Num_rotatable_bonds: 11
MolWt: 1011.17 Num_heavy_atoms: 71
TPSA: 270.96 NumAromaticRings: 0

Unique Aglycone
AD55928
Formula: C45H68O15

Smiles:
COC(=O)COC1OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(C(=O)OC)C2OC1(OC)C(=O)OC
HBA: 15 RingCount: 7
HBD: 2 FractionCSP3: 0.87
AlogP: 5.33 Num_rotatable_bonds: 9
MolWt: 849.02 Num_heavy_atoms: 60
TPSA: 191.81 NumAromaticRings: 0

Sugarmoiety
SD00003

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