Glycoside
...
GD021067

Name:
None

Formula:
C46H80O15N2

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](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](n2ccc(O)c2C(=O)OC(C)(C)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)C(n2ccc(O)c2C(=O)OC(C)(C)C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 6 FractionCSP3: 0.87
AlogP: 3.92 Num_rotatable_bonds: 9
MolWt: 901.15 Num_heavy_atoms: 63
TPSA: 228.3 NumAromaticRings: 1

Unique Aglycone
AD14452
Formula: C38H66O12N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(n2ccc(O)c2C(=O)OC(C)(C)C)C(C)C(O)C1(C)O
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.84
AlogP: 3.0 Num_rotatable_bonds: 6
MolWt: 742.95 Num_heavy_atoms: 52
TPSA: 200.61 NumAromaticRings: 1

Sugarmoiety
SD00005

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