Glycoside
...
GD005159

Name:
None

Formula:
C51H85O12N3

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@H]2O)[C@@](C)(O)C[C@H](C)CN(CCCNCc2cccc3ccccc23)[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)C2O)C(C)(O)CC(C)CN(CCCNCc2cccc3ccccc23)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 6 FractionCSP3: 0.78
AlogP: 4.6 Num_rotatable_bonds: 13
MolWt: 932.25 Num_heavy_atoms: 66
TPSA: 192.11 NumAromaticRings: 2

Unique Aglycone
AD04408
Formula: C43H71O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNCc2cccc3ccccc23)C(C)C(O)C1(C)O
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.74
AlogP: 3.68 Num_rotatable_bonds: 10
MolWt: 774.05 Num_heavy_atoms: 55
TPSA: 164.42 NumAromaticRings: 2

Sugarmoiety
SD00005

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