Glycoside
...
GD023153

Name:
None

Formula:
C46H79O13N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3ccccc3)[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)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 5 FractionCSP3: 0.83
AlogP: 3.83 Num_rotatable_bonds: 10
MolWt: 882.15 Num_heavy_atoms: 62
TPSA: 198.18 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
AD14562
Formula: C8H9O2N

Smiles:
O=C(O)NCc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00005

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