Glycoside
...
GD148256

Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl 8a-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,8,9,10-tetrahydroxy-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-icosahydropicene-4-carboxylate

Formula:
C54H88O26

Smiles:
CC1OC(OC2C(OC(=O)C3(C)C(O)CCC4(C)C3CCC3(C)C4CC=C4C5CC(C)(C)C(O)C(O)C5(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)CC43C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 17 FractionCSP3: 0.94
AlogP: -5.12 Num_rotatable_bonds: 12
MolWt: 1153.27 Num_heavy_atoms: 80
TPSA: 434.82 NumAromaticRings: 0

Unique Aglycone
AD59335
Formula: C30H48O7

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 3.12 Num_rotatable_bonds: 2
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD04707

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O