Glycoside
...
GD016507

Name:
None

Formula:
C52H77O13N

Smiles:
CCOc1ccc(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.CCOc1ccc(C=CC(N)=O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 7 FractionCSP3: 0.77
AlogP: 5.76 Num_rotatable_bonds: 11
MolWt: 924.18 Num_heavy_atoms: 66
TPSA: 213.7 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
AD11872
Formula: C11H13O2N

Smiles:
CCOc1ccc(C=CC(N)=O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.58 Num_rotatable_bonds: 4
MolWt: 191.23 Num_heavy_atoms: 14
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00063

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