Glycoside
...
GD016508

Name:
None

Formula:
C51H75O12N

Smiles:
Cc1ccc(C=CC(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@H]2O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O)CC[C@]34C)C2(C)C)cc1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.Cc1ccc(C=CC(N)=O)cc1

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 7 FractionCSP3: 0.76
AlogP: 5.67 Num_rotatable_bonds: 9
MolWt: 894.16 Num_heavy_atoms: 64
TPSA: 204.47 NumAromaticRings: 1

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD11873
Formula: C10H11ON

Smiles:
Cc1ccc(C=CC(N)=O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00063

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O