Glycoside
...
GD128873

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

Formula:
C53H84O20

Smiles:
CC(C)=CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Aglycone:
CC(C)=CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Sugarmoiety:
CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.89
AlogP: 1.19 Num_rotatable_bonds: 11
MolWt: 1041.24 Num_heavy_atoms: 73
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD52199
Formula: C35H56O5

Smiles:
CC(C)=CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(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
SD02675

CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O