Glycoside
...
GD035446

Name:
None

Formula:
C39H66O14N2

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]3[C@H]2OC(=O)N3C)[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)CC3C2OC(=O)N3C)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 2 FractionCSP3: 0.92
AlogP: 3.61 Num_rotatable_bonds: 6
MolWt: 786.96 Num_heavy_atoms: 55
TPSA: 181.22 NumAromaticRings: 0

Unique Aglycone
AD22426
Formula: C31H52O11N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=O)N3C)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 2.69 Num_rotatable_bonds: 3
MolWt: 628.76 Num_heavy_atoms: 44
TPSA: 153.53 NumAromaticRings: 0

Sugarmoiety
SD00005

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