Glycoside
...
GD020121

Name:
None

Formula:
C48H84O13N5Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OCCCNC(=O)c3c(C)nn(C)c3Cl)[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(C)[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(C)C(C)C(O)C1(C)O.Cc1nn(C)c(Cl)c1C(=O)NCCCO

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 5 FractionCSP3: 0.89
AlogP: 3.44 Num_rotatable_bonds: 13
MolWt: 962.66 Num_heavy_atoms: 66
TPSA: 216.0 NumAromaticRings: 1

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD13943
Formula: C10H14O2N3Cl

Smiles:
Cc1nn(C)c(Cl)c1C(=O)NCCCO
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.56
AlogP: 0.49 Num_rotatable_bonds: 4
MolWt: 231.68 Num_heavy_atoms: 15
TPSA: 67.15 NumAromaticRings: 1

Sugarmoiety
SD00005

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