Glycoside
...
GD118515

Name:
2-(10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[2,3,4-trihydroxy-5-(methoxycarbonyl)cyclohexyl]oxy}oxan-2-yl]oxy}-8a-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)acetic acid

Formula:
C44H70O14

Smiles:
COC(=O)C1CC(OC2C(OC3CCC4(C)C5CC=C6C7CC(C)(C)CCC7(CC(=O)O)CCC6C5(C)CCC4(O)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(CC(=O)O)CCC3C(=CCC4C3(C)CCC3(O)C(C)(C)C(O)CCC43C)C2C1.COC(=O)C1CC(O)C(O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.91
AlogP: 2.84 Num_rotatable_bonds: 8
MolWt: 823.03 Num_heavy_atoms: 58
TPSA: 232.9 NumAromaticRings: 0

Unique Aglycone
AD47401
Formula: C30H48O4

Smiles:
CC1(C)CCC2(CC(=O)O)CCC3C(=CCC4C3(C)CCC3(O)C(C)(C)C(O)CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.35 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0
AD47402
Formula: C8H14O6

Smiles:
COC(=O)C1CC(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.88
AlogP: -2.38 Num_rotatable_bonds: 1
MolWt: 206.19 Num_heavy_atoms: 14
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O