Glycoside
...
GD032510

Name:
None

Formula:
C59H94O16N5Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN(C)CCNc3cc4c(=O)c(C(=O)OC)cn(C5CC5)c4cc3Cl)[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.COC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCN(C)CCC(=O)O)cc2c1=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 5 FractionCSP3: 0.79
AlogP: 4.98 Num_rotatable_bonds: 17
MolWt: 1152.86 Num_heavy_atoms: 80
TPSA: 249.72 NumAromaticRings: 2

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
AD20849
Formula: C21H24O5N3Cl

Smiles:
COC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCN(C)CCC(=O)O)cc2c1=O
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: 2.59 Num_rotatable_bonds: 9
MolWt: 421.88 Num_heavy_atoms: 29
TPSA: 100.87 NumAromaticRings: 2

Sugarmoiety
SD00005

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