Glycoside
...
GD125318

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

Formula:
C58H92O25

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO

Aglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 14 FractionCSP3: 0.9
AlogP: -1.37 Num_rotatable_bonds: 14
MolWt: 1189.35 Num_heavy_atoms: 83
TPSA: 400.43 NumAromaticRings: 0

Unique Aglycone
AD06963
Formula: C35H56O5

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 6.6 Num_rotatable_bonds: 3
MolWt: 556.83 Num_heavy_atoms: 40
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD06464

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O