Glycoside
...
GD024566

Name:
None

Formula:
C63H98O20N3Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCOCCOc3cc4c(=O)c(C(=O)OCOC(=O)C(C)(C)C)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:
CC(C)(C)C(=O)OCOC(=O)c1cn(C2CC2)c2cc(Cl)c(OCCOCCC(=O)O)cc2c1=O.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

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 4 FractionCSP3: 0.79
AlogP: 5.94 Num_rotatable_bonds: 19
MolWt: 1240.92 Num_heavy_atoms: 86
TPSA: 279.21 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
AD16377
Formula: C25H28O9NCl

Smiles:
CC(C)(C)C(=O)OCOC(=O)c1cn(C2CC2)c2cc(Cl)c(OCCOCCC(=O)O)cc2c1=O
HBA: 10 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 3.56 Num_rotatable_bonds: 11
MolWt: 509.94 Num_heavy_atoms: 35
TPSA: 130.36 NumAromaticRings: 2

Sugarmoiety
SD00005

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