Glycoside
...
GD002641

Name:
None

Formula:
C40H70O14N2

Smiles:
CCCN1C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](C)[C@H](O[C@@H]4C[C@@](C)(OC)[C@H](O)[C@H](C)O4)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)NC(=O)[C@H](C)C[C@]3(C)OC)O[C@H](C)C[C@H]21

Aglycone:
CCCN1C(=O)OC2C(OC3C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NC(=O)C(C)CC3(C)OC)OC(C)CC21

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 3.05 Num_rotatable_bonds: 9
MolWt: 803.0 Num_heavy_atoms: 56
TPSA: 201.01 NumAromaticRings: 0

Unique Aglycone
AD02491
Formula: C32H56O11N2

Smiles:
CCCN1C(=O)OC2C(OC3C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NC(=O)C(C)CC3(C)OC)OC(C)CC21
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.91
AlogP: 2.12 Num_rotatable_bonds: 6
MolWt: 644.8 Num_heavy_atoms: 45
TPSA: 173.32 NumAromaticRings: 0

Sugarmoiety
SD00005

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