Glycoside
...
GD135051

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

Formula:
C49H80O18

Smiles:
COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CO)CCC34C)C2(C)C)C(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O

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

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 0.79 Num_rotatable_bonds: 9
MolWt: 957.16 Num_heavy_atoms: 67
TPSA: 283.98 NumAromaticRings: 0

Unique Aglycone
AD51793
Formula: C30H50O3

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD07874

COC(=O)C1OC(O)C(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O