Glycoside
...
GD018667

Name:
None

Formula:
C47H89O12N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)[C@@H]2[C@H](C)[C@H](OCN2C(C)CCCN(CC)CC)[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)C2C(C)C(OCN2C(C)CCCN(CC)CC)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.98
AlogP: 4.39 Num_rotatable_bonds: 14
MolWt: 888.24 Num_heavy_atoms: 62
TPSA: 172.32 NumAromaticRings: 0

Unique Aglycone
AD13132
Formula: C39H75O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2C(C)C(OCN2C(C)CCCN(CC)CC)C1(C)O
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.97
AlogP: 3.47 Num_rotatable_bonds: 11
MolWt: 730.04 Num_heavy_atoms: 51
TPSA: 144.63 NumAromaticRings: 0

Sugarmoiety
SD00005

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