Glycoside
...
GD155378

Name:
4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-[(4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-{[(2-methylbut-2-enoyl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C58H90O26

Smiles:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2O

Aglycone:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 14 FractionCSP3: 0.88
AlogP: -2.19 Num_rotatable_bonds: 15
MolWt: 1203.33 Num_heavy_atoms: 84
TPSA: 417.5 NumAromaticRings: 0

Unique Aglycone
AD58737
Formula: C35H54O6

Smiles:
CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.78 Num_rotatable_bonds: 4
MolWt: 570.81 Num_heavy_atoms: 41
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD01354

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O