Glycoside
...
GD037583

Name:
None

Formula:
C44H65O12N

Smiles:
CNc1ccccc1C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@]12CO

Aglycone:
CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 8 FractionCSP3: 0.77
AlogP: 3.88 Num_rotatable_bonds: 8
MolWt: 800.0 Num_heavy_atoms: 57
TPSA: 215.47 NumAromaticRings: 1

Unique Aglycone
AD20039
Formula: C38H57O6N

Smiles:
CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.76
AlogP: 5.96 Num_rotatable_bonds: 5
MolWt: 623.88 Num_heavy_atoms: 45
TPSA: 119.25 NumAromaticRings: 1

Sugarmoiety
SD00030

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