Glycoside
...
GD143611

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,14b-octadecahydropicen-3-yl]oxy}-4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H88O21

Smiles:
CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C6=CC=C7C8CC(C)(C)CCC8(CO)CCC7(C)C6(C)CCC5C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(CO)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)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
AD17999
Formula: C30H48O3

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
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
SD01387

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O