Glycoside
...
GD035198

Name:
None

Formula:
C50H66O19

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@](CO)(COC(=O)c6cc(O)c(O)c(O)c6)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C(CO)(COC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 0.66
AlogP: 3.37 Num_rotatable_bonds: 9
MolWt: 971.06 Num_heavy_atoms: 69
TPSA: 330.89 NumAromaticRings: 2

Unique Aglycone
AD22284
Formula: C44H56O14

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C(CO)(COC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1
HBA: 14 RingCount: 7
HBD: 9 FractionCSP3: 0.61
AlogP: 6.11 Num_rotatable_bonds: 7
MolWt: 808.92 Num_heavy_atoms: 58
TPSA: 251.74 NumAromaticRings: 2

Sugarmoiety
SD00003

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