Glycoside
...
GD144801

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

Formula:
C60H96O30

Smiles:
CC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(OC5C(O)CC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC67C)C5(C)C(=O)O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 18 FractionCSP3: 0.93
AlogP: -5.15 Num_rotatable_bonds: 15
MolWt: 1297.4 Num_heavy_atoms: 90
TPSA: 490.58 NumAromaticRings: 0

Unique Aglycone
AD00250
Formula: C30H46O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.27 Num_rotatable_bonds: 2
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD09132

CC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O