Glycoside
...
GD019505

Name:
None

Formula:
C53H85O20N

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]3OC(C)=O)[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)(OC)C[C@H](C)C(=O)[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)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.COC(=O)c1ccccc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1OC1OC(O)C(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 5 FractionCSP3: 0.81
AlogP: 2.7 Num_rotatable_bonds: 14
MolWt: 1056.25 Num_heavy_atoms: 74
TPSA: 274.2 NumAromaticRings: 1

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0

Sugarmoiety
SD02267

COC1(C)CC(O)OC(C)C1OC1OC(O)C(O)C(O)C1OC(C)=O