Glycoside
...
GD027078

Name:
None

Formula:
C43H77O13N3S

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)CCCNCc3nccs3)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](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)CCCNCc3nccs3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 7 FractionCSP3: 0.91
AlogP: 2.58 Num_rotatable_bonds: 13
MolWt: 876.16 Num_heavy_atoms: 60
TPSA: 221.99 NumAromaticRings: 1

Unique Aglycone
AD17822
Formula: C35H63O10N3S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNCc3nccs3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.89
AlogP: 1.66 Num_rotatable_bonds: 10
MolWt: 717.97 Num_heavy_atoms: 49
TPSA: 194.3 NumAromaticRings: 1

Sugarmoiety
SD00005

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