Glycoside
...
GD117519

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

Formula:
C66H106O31

Smiles:
CC1OC(OC2C(C)OC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8OC8OC(CO)C(O)C(OC9OC(C)C(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(C(=O)O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 17 FractionCSP3: 0.94
AlogP: -3.21 Num_rotatable_bonds: 15
MolWt: 1395.54 Num_heavy_atoms: 97
TPSA: 488.81 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD05069

CC1OC(OC2C(C)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(C(=O)O)C(O)C3O)C2O)C(O)C(O)C1O