Glycoside
...
GD132336

Name:
6-{[8-carboxy-9-(methoxymethyl)-11,24,24,28,29-pentamethyl-4-(2-oxoethyl)octacyclo[19.7.1.1¹¹,¹⁵.0¹,¹⁸.0⁵,¹⁶.0⁵,²⁸.0⁸,¹⁵.0²⁵,²⁹]triaconta-2,13,16-trien-23-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C46H64O11

Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC7(C)C2(CCC13C(=O)O)C(CC=O)C=CC47C56C

Aglycone:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC7(C)C2(CCC13C(=O)O)C(CC=O)C=CC47C56C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 9
HBD: 5 FractionCSP3: 0.8
AlogP: 5.7 Num_rotatable_bonds: 8
MolWt: 793.01 Num_heavy_atoms: 57
TPSA: 180.05 NumAromaticRings: 0

Unique Aglycone
AD53577
Formula: C40H56O5

Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC7(C)C2(CCC13C(=O)O)C(CC=O)C=CC47C56C
HBA: 5 RingCount: 8
HBD: 2 FractionCSP3: 0.8
AlogP: 7.79 Num_rotatable_bonds: 5
MolWt: 616.88 Num_heavy_atoms: 45
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O