Glycoside
...
GD013473

Name:
None

Formula:
C54H85O13N2Cl

Smiles:
CCC(C)N(CC1CC1)[C@@H]1C[C@H](C)OC(O[C@@H]2[C@H](C)[C@H](OC3C[C@@](C)(OC)[C@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@H](CC)[C@]3(C)OC(=O)N(CCc4ccc(Cl)cc4)[C@H]3[C@H](C)C(=O)[C@H](C)C[C@]2(C)OC)[C@H]1O

Aglycone:
CCC(C)N(CC1CC1)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(CC)C3(C)OC(=O)N(CCc4ccc(Cl)cc4)C3C(C)C(=O)C(C)CC2(C)OC)C1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 2 FractionCSP3: 0.83
AlogP: 7.75 Num_rotatable_bonds: 15
MolWt: 993.72 Num_heavy_atoms: 69
TPSA: 171.99 NumAromaticRings: 1

Unique Aglycone
AD10048
Formula: C46H71O10N2Cl

Smiles:
CCC(C)N(CC1CC1)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(CC)C3(C)OC(=O)N(CCc4ccc(Cl)cc4)C3C(C)C(=O)C(C)CC2(C)OC)C1O
HBA: 12 RingCount: 5
HBD: 2 FractionCSP3: 0.8
AlogP: 6.83 Num_rotatable_bonds: 12
MolWt: 835.52 Num_heavy_atoms: 58
TPSA: 144.3 NumAromaticRings: 1

Sugarmoiety
SD00005

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