Glycoside
...
GD128820

Name:
2-[(2-{[8a-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,9,10-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-4-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C54H90O24

Smiles:
CC1OC(OC2C(OCC3(C)C(O)CCC4(C)C3CCC3(C)C4CC=C4C5CC(C)(C)C(O)C(O)C5(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC43C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 16 FractionCSP3: 0.96
AlogP: -3.62 Num_rotatable_bonds: 13
MolWt: 1123.29 Num_heavy_atoms: 78
TPSA: 397.52 NumAromaticRings: 0

Unique Aglycone
AD52181
Formula: C30H50O5

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 0.93
AlogP: 4.06 Num_rotatable_bonds: 2
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD04707

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O