Glycoside
...
GD031607

Name:
None

Formula:
C71H127O26N3

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)CC(=O)N(C)[C@@H]3C[C@H](C)O[C@H](O[C@@H]4[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@]4(C)OC)[C@H]3O)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=NOCOCCOC)[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(=O)CN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCOCCOC)C(C)CC4(C)O)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 29 RingCount: 5
HBD: 9 FractionCSP3: 0.93
AlogP: 3.0 Num_rotatable_bonds: 20
MolWt: 1438.79 Num_heavy_atoms: 100
TPSA: 389.18 NumAromaticRings: 0

Unique Aglycone
AD20348
Formula: C63H113O23N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)CN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCOCCOC)C(C)CC4(C)O)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 26 RingCount: 4
HBD: 9 FractionCSP3: 0.92
AlogP: 2.08 Num_rotatable_bonds: 17
MolWt: 1280.59 Num_heavy_atoms: 89
TPSA: 361.49 NumAromaticRings: 0

Sugarmoiety
SD00005

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