Glycoside
...
GD129121

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

Formula:
C68H108O33

Smiles:
CC(=O)C1(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)CCC23C)C1(C)C

Aglycone:
CC(=O)C1(O)CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)C

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)OC(C(=O)O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 18 FractionCSP3: 0.93
AlogP: -4.28 Num_rotatable_bonds: 17
MolWt: 1453.58 Num_heavy_atoms: 101
TPSA: 526.11 NumAromaticRings: 0

Unique Aglycone
AD52300
Formula: C32H50O4

Smiles:
CC(=O)C1(O)CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 7.19 Num_rotatable_bonds: 2
MolWt: 498.75 Num_heavy_atoms: 36
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD06748

CC1OC(OC2C(CO)OC(OC3C(O)OC(C(=O)O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O