Glycoside
...
GD022685

Name:
None

Formula:
C53H80O13N2Cl2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCCC3)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCc3ccc(Cl)c(Cl)c3)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 2 FractionCSP3: 0.82
AlogP: 7.77 Num_rotatable_bonds: 12
MolWt: 1000.11 Num_heavy_atoms: 68
TPSA: 171.99 NumAromaticRings: 1

Unique Aglycone
AD15352
Formula: C45H66O10N2Cl2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCCC3)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCc3ccc(Cl)c(Cl)c3)C(=O)OC12C
HBA: 12 RingCount: 5
HBD: 2 FractionCSP3: 0.79
AlogP: 6.84 Num_rotatable_bonds: 9
MolWt: 841.91 Num_heavy_atoms: 57
TPSA: 144.3 NumAromaticRings: 1

Sugarmoiety
SD00005

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