Glycoside
...
GD128458

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

Formula:
C54H88O21

Smiles:
CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CCC7(CO)CCC56C)C4(C)CO)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C

Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 13 FractionCSP3: 0.93
AlogP: -0.61 Num_rotatable_bonds: 12
MolWt: 1073.28 Num_heavy_atoms: 75
TPSA: 336.83 NumAromaticRings: 0

Unique Aglycone
AD47472
Formula: C30H48O3

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.03 Num_rotatable_bonds: 2
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD06940

CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O