Glycoside
...
GD021839

Name:
None

Formula:
C51H74O14N2

Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC=CCc3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO.OC=CCc1cnc2ccccc2c1

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 3 FractionCSP3: 0.65
AlogP: 4.89 Num_rotatable_bonds: 15
MolWt: 939.15 Num_heavy_atoms: 67
TPSA: 201.87 NumAromaticRings: 2

Unique Aglycone
AD01623
Formula: C23H36O7

Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.7
AlogP: 1.98 Num_rotatable_bonds: 4
MolWt: 424.53 Num_heavy_atoms: 30
TPSA: 121.13 NumAromaticRings: 0
AD14869
Formula: C12H11ON

Smiles:
OC=CCc1cnc2ccccc2c1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 2.85 Num_rotatable_bonds: 2
MolWt: 185.23 Num_heavy_atoms: 14
TPSA: 33.12 NumAromaticRings: 2

Sugarmoiety
SD00044

CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC