Glycoside
...
GD129184

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

Formula:
C64H102O32

Smiles:
CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OCC(O)C(O)C6O)C(O)CC45C)C3(C)CO)OC(C(=O)O)C2O)C(O)C(OC2OC(CO)C(O)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(OC2OC(CO)C(O)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C2O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 18 FractionCSP3: 0.94
AlogP: -5.02 Num_rotatable_bonds: 15
MolWt: 1383.49 Num_heavy_atoms: 96
TPSA: 509.04 NumAromaticRings: 0

Unique Aglycone
AD08856
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD07057

CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(OC2OC(CO)C(O)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C2O)C1O.OC1COC(O)C(O)C1O