Glycoside
...
GD018765

Name:
None

Formula:
C45H76O14N2

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(=O)CNCc3ccccc3)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](O)[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(=O)CNCc3ccccc3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 7 FractionCSP3: 0.82
AlogP: 2.26 Num_rotatable_bonds: 11
MolWt: 869.1 Num_heavy_atoms: 61
TPSA: 226.17 NumAromaticRings: 1

Unique Aglycone
AD13172
Formula: C37H62O11N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)CNCc3ccccc3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.78
AlogP: 1.34 Num_rotatable_bonds: 8
MolWt: 710.91 Num_heavy_atoms: 50
TPSA: 198.48 NumAromaticRings: 1

Sugarmoiety
SD00005

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