Glycoside
...
GD020059

Name:
None

Formula:
C47H73O16N

Smiles:
C[C@@H]1[C@H](O)[C@H](CO)O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@](C)(CN[C@H](CC(=O)O)C(=O)O)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC1(CNC(CC(=O)O)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1C(O)C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 9 FractionCSP3: 0.87
AlogP: 2.86 Num_rotatable_bonds: 12
MolWt: 908.09 Num_heavy_atoms: 64
TPSA: 279.07 NumAromaticRings: 0

Unique Aglycone
AD13906
Formula: C34H53O6N

Smiles:
CC1(CNC(CC(=O)O)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.85
AlogP: 5.85 Num_rotatable_bonds: 6
MolWt: 571.8 Num_heavy_atoms: 41
TPSA: 123.93 NumAromaticRings: 0

Sugarmoiety
SD00537

CC1C(O)C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1O