Glycoside
...
GD021527

Name:
None

Formula:
C41H73O14N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CN)[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)(O)C[C@H](C)CN(C)[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)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C.NCC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 2.59 Num_rotatable_bonds: 9
MolWt: 832.04 Num_heavy_atoms: 58
TPSA: 207.24 NumAromaticRings: 0

Unique Aglycone
AD00823
Formula: C31H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.16 Num_rotatable_bonds: 4
MolWt: 616.79 Num_heavy_atoms: 43
TPSA: 147.46 NumAromaticRings: 0
AD07773
Formula: C2H5O2N

Smiles:
NCC(=O)O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.5
AlogP: -0.97 Num_rotatable_bonds: 1
MolWt: 75.07 Num_heavy_atoms: 5
TPSA: 63.32 NumAromaticRings: 0

Sugarmoiety
SD00005

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