Glycoside
...
GD019011

Name:
None

Formula:
C47H79O13N3

Smiles:
C=CO[C@@]1(C)C[C@H](C)CN(C(=O)NCc2ccccc2)[C@H](C)[C@H](O)[C@@](C)(O)[C@H](CC)OC(=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]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O

Aglycone:
C=COC1(C)CC(C)CN(C(=O)NCc2ccccc2)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 5 FractionCSP3: 0.79
AlogP: 4.35 Num_rotatable_bonds: 11
MolWt: 894.16 Num_heavy_atoms: 63
TPSA: 198.18 NumAromaticRings: 1

Unique Aglycone
AD13321
Formula: C39H65O10N3

Smiles:
C=COC1(C)CC(C)CN(C(=O)NCc2ccccc2)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.74
AlogP: 3.42 Num_rotatable_bonds: 8
MolWt: 735.96 Num_heavy_atoms: 52
TPSA: 170.49 NumAromaticRings: 1

Sugarmoiety
SD00005

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