Glycoside
...
GD018437

Name:
None

Formula:
C42H80O14N2

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](NCCOCCOC)[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(NCCOCCOC)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 6 FractionCSP3: 0.98
AlogP: 1.84 Num_rotatable_bonds: 14
MolWt: 837.1 Num_heavy_atoms: 58
TPSA: 207.33 NumAromaticRings: 0

Unique Aglycone
AD13007
Formula: C34H66O11N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCOCCOC)C(C)C(O)C1(C)O
HBA: 13 RingCount: 2
HBD: 6 FractionCSP3: 0.97
AlogP: 0.91 Num_rotatable_bonds: 11
MolWt: 678.91 Num_heavy_atoms: 47
TPSA: 179.64 NumAromaticRings: 0

Sugarmoiety
SD00005

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