Glycoside
...
GD151662

Name:
methyl 6-{[8a-(methoxycarbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4,5-bis(acetyloxy)-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:
C53H78O18

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2

Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 0 FractionCSP3: 0.83
AlogP: 6.64 Num_rotatable_bonds: 11
MolWt: 1003.19 Num_heavy_atoms: 71
TPSA: 221.02 NumAromaticRings: 0

Unique Aglycone
AD03137
Formula: C31H50O3

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.9
AlogP: 7.32 Num_rotatable_bonds: 1
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD09932

COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O