Glycoside
...
GD128090

Name:
butyl 6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]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}-3,4,5-trihydroxyoxane-2-carboxylate

Formula:
C47H76O13

Smiles:
CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5CC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CCCCOC=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 7 FractionCSP3: 0.91
AlogP: 4.33 Num_rotatable_bonds: 9
MolWt: 849.11 Num_heavy_atoms: 60
TPSA: 212.67 NumAromaticRings: 0

Unique Aglycone
AD01542
Formula: C5H10O2

Smiles:
CCCCOC=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 4
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD51887
Formula: C37H60O7

Smiles:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.92
AlogP: 5.16 Num_rotatable_bonds: 3
MolWt: 616.88 Num_heavy_atoms: 44
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O