Glycoside
...
GD037531

Name:
None

Formula:
C44H63O12N

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)CCC2(C(N)=O)C(=O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 1 FractionCSP3: 0.8
AlogP: 5.74 Num_rotatable_bonds: 7
MolWt: 797.98 Num_heavy_atoms: 57
TPSA: 177.67 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD23252
Formula: C30H45O3N

Smiles:
CC1(C)CCC2(C(N)=O)C(=O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 6.02 Num_rotatable_bonds: 1
MolWt: 467.69 Num_heavy_atoms: 34
TPSA: 77.23 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O