Glycoside
...
GD021167

Name:
None

Formula:
C51H75O13N

Smiles:
COc1ccccc1C=CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(=O)O)CC[C@]23C)C1(C)C

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COc1ccccc1C=CC(N)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 7 FractionCSP3: 0.76
AlogP: 5.37 Num_rotatable_bonds: 10
MolWt: 910.15 Num_heavy_atoms: 65
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
AD07341
Formula: C10H11O2N

Smiles:
COc1ccccc1C=CC(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.19 Num_rotatable_bonds: 3
MolWt: 177.2 Num_heavy_atoms: 13
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00063

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