Glycoside
...
GD032050

Name:
None

Formula:
C46H86O12N2

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](NCC2CCCCCCC2)[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)C(NCC2CCCCCCC2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.98
AlogP: 4.54 Num_rotatable_bonds: 10
MolWt: 859.2 Num_heavy_atoms: 60
TPSA: 188.87 NumAromaticRings: 0

Unique Aglycone
AD20587
Formula: C38H72O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCC2CCCCCCC2)C(C)C(O)C1(C)O
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.97
AlogP: 3.61 Num_rotatable_bonds: 7
MolWt: 701.0 Num_heavy_atoms: 49
TPSA: 161.18 NumAromaticRings: 0

Sugarmoiety
SD00005

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