Glycoside
...
GD135480

Name:
4a-[(acetyloxy)methyl]-10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4,5,6-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl 2-methylbut-2-enoate

Formula:
C54H86O22

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

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

Sugarmoiety:
OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.89
AlogP: -0.78 Num_rotatable_bonds: 12
MolWt: 1087.26 Num_heavy_atoms: 76
TPSA: 350.74 NumAromaticRings: 0

Unique Aglycone
AD54781
Formula: C37H58O8

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 5.11 Num_rotatable_bonds: 4
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD01828

OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O