Glycoside
...
GD037143

Name:
None

Formula:
C55H85O16N

Smiles:
COc1ccccc1NC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2

Aglycone:
COc1ccccc1NC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 9 FractionCSP3: 0.84
AlogP: 4.32 Num_rotatable_bonds: 10
MolWt: 1016.28 Num_heavy_atoms: 72
TPSA: 255.55 NumAromaticRings: 1

Unique Aglycone
AD23419
Formula: C37H55O3N

Smiles:
COc1ccccc1NC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.76
AlogP: 8.8 Num_rotatable_bonds: 3
MolWt: 561.85 Num_heavy_atoms: 41
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00209

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O