Glycoside
...
GD129957

Name:
1-[8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-4-yl]methyl 3-methyl propanedioate

Formula:
C52H82O21

Smiles:
COC(=O)CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC21C

Aglycone:
COC(=O)CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: 0.25 Num_rotatable_bonds: 12
MolWt: 1043.21 Num_heavy_atoms: 73
TPSA: 327.35 NumAromaticRings: 0

Unique Aglycone
AD52652
Formula: C34H52O7

Smiles:
COC(=O)CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.85
AlogP: 6.32 Num_rotatable_bonds: 5
MolWt: 572.78 Num_heavy_atoms: 41
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O