Glycoside
...
GD016041

Name:
None

Formula:
C54H88O17N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)[C@H](OCc4ccccc4)[C@H](N(C)C)[C@H]3O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C.OCc1ccccc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1OC1OC(C)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 2 FractionCSP3: 0.83
AlogP: 5.27 Num_rotatable_bonds: 14
MolWt: 1037.29 Num_heavy_atoms: 73
TPSA: 208.91 NumAromaticRings: 1

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD04518
Formula: C31H53O11N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.9
AlogP: 2.7 Num_rotatable_bonds: 5
MolWt: 615.76 Num_heavy_atoms: 43
TPSA: 150.29 NumAromaticRings: 0

Sugarmoiety
SD00989

COC1(C)CC(O)OC(C)C1OC1OC(C)C(O)C(N(C)C)C1O