Glycoside
...
GD137149

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

Formula:
C63H102O30

Smiles:
CC1OC(OC2C(CO)OC(OC3C(OC4OCC(O)C(O)C4O)COC(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)C(O)CC8(C(=O)O)CCC67C)C5(C)C)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(OC4OCC(O)C(O)C4O)COC(OC4C(O)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 17 FractionCSP3: 0.95
AlogP: -3.91 Num_rotatable_bonds: 15
MolWt: 1339.48 Num_heavy_atoms: 93
TPSA: 471.74 NumAromaticRings: 0

Unique Aglycone
AD45657
Formula: C30H48O4

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD05881

CC1OC(OC2C(CO)OC(OC3C(OC4OCC(O)C(O)C4O)COC(OC4C(O)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)C3O)C(O)C2O)C(O)C(O)C1O