Glycoside
...
GD019851

Name:
None

Formula:
C47H81O14N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCc3ccc(O)cc3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[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)CN(C)C(C)C(O)C1(C)O.O=C(O)NCCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 6 FractionCSP3: 0.83
AlogP: 3.58 Num_rotatable_bonds: 11
MolWt: 912.17 Num_heavy_atoms: 64
TPSA: 218.41 NumAromaticRings: 1

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD06952
Formula: C9H11O3N

Smiles:
O=C(O)NCCc1ccc(O)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 181.19 Num_heavy_atoms: 13
TPSA: 69.56 NumAromaticRings: 1

Sugarmoiety
SD00005

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