Glycoside
...
GD004770

Name:
None

Formula:
C48H92O13N2

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](NCCC(C)CCCC(C)(C)OC)[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(NCCC(C)CCCC(C)(C)OC)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 6 FractionCSP3: 0.98
AlogP: 4.8 Num_rotatable_bonds: 16
MolWt: 905.26 Num_heavy_atoms: 63
TPSA: 198.1 NumAromaticRings: 0

Unique Aglycone
AD04124
Formula: C40H78O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCC(C)CCCC(C)(C)OC)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.97
AlogP: 3.87 Num_rotatable_bonds: 13
MolWt: 747.07 Num_heavy_atoms: 52
TPSA: 170.41 NumAromaticRings: 0

Sugarmoiety
SD00005

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