Glycoside
...
GD117217

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

Formula:
C54H90O24

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C(O)C=C3C5CC(C)(C)CCC5(CO)C(OC5OC(CO)C(O)C(O)C5O)CC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)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
AD12971
Formula: C30H50O5

Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
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
SD05014

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O