Glycoside
...
GD117203

Name:
2-[(2-{[4,8a-bis(hydroxymethyl)-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-3-yl]oxy}-4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H90O22

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CO)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

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

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 14 FractionCSP3: 0.96
AlogP: -1.56 Num_rotatable_bonds: 13
MolWt: 1091.29 Num_heavy_atoms: 76
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD46692
Formula: C30H50O3

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 2
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD05012

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O