Glycoside
...
GD029660

Name:
None

Formula:
C55H90O13N5Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CCCNc2ccnc3cc(Cl)ccc23)[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)C2OCCCNC(=O)CCCNc2ccnc3cc(Cl)ccc23)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: 18 RingCount: 5
HBD: 6 FractionCSP3: 0.8
AlogP: 5.53 Num_rotatable_bonds: 17
MolWt: 1052.79 Num_heavy_atoms: 73
TPSA: 223.1 NumAromaticRings: 2

Unique Aglycone
AD19275
Formula: C47H76O10N5Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCNC(=O)CCCNc2ccnc3cc(Cl)ccc23)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.76
AlogP: 4.6 Num_rotatable_bonds: 14
MolWt: 894.59 Num_heavy_atoms: 62
TPSA: 195.41 NumAromaticRings: 2

Sugarmoiety
SD00005

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