Glycoside
...
GD115342

Name:
3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[7,8,9-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(2-methylbutanoyl)oxy]-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-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C52H84O22

Smiles:
CCC(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CCC(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 13 FractionCSP3: 0.92
AlogP: -1.17 Num_rotatable_bonds: 12
MolWt: 1061.22 Num_heavy_atoms: 74
TPSA: 361.74 NumAromaticRings: 0

Unique Aglycone
AD45607
Formula: C35H58O7

Smiles:
CCC(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.91
AlogP: 4.62 Num_rotatable_bonds: 4
MolWt: 590.84 Num_heavy_atoms: 42
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00702

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O