Glycoside
...
GD001599

Name:
None

Formula:
C42H80O15N2S

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

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCCNS(C)(=O)=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 6 FractionCSP3: 0.98
AlogP: 1.93 Num_rotatable_bonds: 13
MolWt: 885.17 Num_heavy_atoms: 60
TPSA: 232.24 NumAromaticRings: 0

Unique Aglycone
AD01588
Formula: C34H66O12N2S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCCNS(C)(=O)=O)C(C)C(O)C1(C)O
HBA: 14 RingCount: 2
HBD: 6 FractionCSP3: 0.97
AlogP: 1.0 Num_rotatable_bonds: 10
MolWt: 726.97 Num_heavy_atoms: 49
TPSA: 204.55 NumAromaticRings: 0

Sugarmoiety
SD00005

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