Glycoside
...
GD127329

Name:
4a-[(acetyloxy)methyl]-4,5-dihydroxy-10-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-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:
C54H86O20

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.89
AlogP: 1.28 Num_rotatable_bonds: 11
MolWt: 1055.26 Num_heavy_atoms: 74
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD51559
Formula: C37H58O7

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.84
AlogP: 6.14 Num_rotatable_bonds: 4
MolWt: 614.86 Num_heavy_atoms: 44
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD05731

CC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O