Glycoside
...
GD120026

Name:
10-{[6-(butoxycarbonyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

Formula:
C47H72O16

Smiles:
CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3C(=O)C=C3C5CC(C)(C(=O)O)CCC5(C)CCC34C)C2(C)C)C(OC2OC(C(=O)OC)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CCCCOC=O

Sugarmoiety:
COC(=O)C1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.87
AlogP: 3.59 Num_rotatable_bonds: 10
MolWt: 893.08 Num_heavy_atoms: 63
TPSA: 245.04 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
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD05546

COC(=O)C1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O