Glycoside
...
GD010804

Name:
None

Formula:
C49H86O14N4

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]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=O)NCc2ccc(OC)cc2)[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)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NCc2ccc(OC)cc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 7 FractionCSP3: 0.84
AlogP: 3.17 Num_rotatable_bonds: 14
MolWt: 955.24 Num_heavy_atoms: 67
TPSA: 230.44 NumAromaticRings: 1

Unique Aglycone
AD08298
Formula: C41H72O11N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NCc2ccc(OC)cc2)C(C)C(O)C1(C)O
HBA: 15 RingCount: 3
HBD: 7 FractionCSP3: 0.8
AlogP: 2.24 Num_rotatable_bonds: 11
MolWt: 797.04 Num_heavy_atoms: 56
TPSA: 202.75 NumAromaticRings: 1

Sugarmoiety
SD00005

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