Glycoside
...
GD131361

Name:
6-{[4,4,6a,11,11,14b-hexamethyl-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}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

Formula:
C46H72O18

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C6O)C(O)C5O)CCC34C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.91
AlogP: 0.48 Num_rotatable_bonds: 9
MolWt: 913.06 Num_heavy_atoms: 64
TPSA: 291.82 NumAromaticRings: 0

Unique Aglycone
AD47803
Formula: C29H46O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.84 Num_rotatable_bonds: 1
MolWt: 442.68 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD01883

O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O