Glycoside
...
GD003531

Name:
None

Formula:
C39H63O15N

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]3[C@H]2OC(=O)N3C)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2OC(=O)O[C@@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=O)N3C)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 1 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 7
MolWt: 785.92 Num_heavy_atoms: 55
TPSA: 184.05 NumAromaticRings: 0

Unique Aglycone
AD03204
Formula: C31H49O12N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=O)N3C)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.87
AlogP: 3.22 Num_rotatable_bonds: 4
MolWt: 627.73 Num_heavy_atoms: 44
TPSA: 156.36 NumAromaticRings: 0

Sugarmoiety
SD00005

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