Glycoside
...
GD149468

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14-icosahydropicene-4a-carboxylate

Formula:
C59H94O28

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4=C6C(=O)C(C)(CO)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=C2C1=O)CCC1C2(C)CCC(O)C(C)(C)C2CCC13C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 16 FractionCSP3: 0.93
AlogP: -4.25 Num_rotatable_bonds: 14
MolWt: 1251.37 Num_heavy_atoms: 87
TPSA: 450.12 NumAromaticRings: 0

Unique Aglycone
AD59765
Formula: C30H46O5

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=C2C1=O)CCC1C2(C)CCC(O)C(C)(C)C2CCC13C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.53 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD06357

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O