Glycoside
...
GD029362

Name:
None

Formula:
C68H122O23N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@@H]3C[C@H](C)O[C@H](O[C@@H]4[C@H](C)[C@H](O[C@@H]5C[C@@](C)(OC)[C@H](O)[C@H](C)O5)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@]4(C)OC)[C@H]3O)[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)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 8 FractionCSP3: 0.94
AlogP: 3.71 Num_rotatable_bonds: 16
MolWt: 1335.71 Num_heavy_atoms: 93
TPSA: 338.13 NumAromaticRings: 0

Unique Aglycone
AD13605
Formula: C60H108O20N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 22 RingCount: 4
HBD: 8 FractionCSP3: 0.93
AlogP: 2.78 Num_rotatable_bonds: 13
MolWt: 1177.52 Num_heavy_atoms: 82
TPSA: 310.44 NumAromaticRings: 0

Sugarmoiety
SD00005

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