Glycoside
...
GD019010

Name:
None

Formula:
C45H78O12N2

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)(OC)C[C@H](C)CN(Cc2ccccc2)[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)CN(Cc2ccccc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 4 FractionCSP3: 0.84
AlogP: 4.13 Num_rotatable_bonds: 10
MolWt: 839.12 Num_heavy_atoms: 59
TPSA: 169.08 NumAromaticRings: 1

Unique Aglycone
AD13320
Formula: C37H64O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)CN(Cc2ccccc2)C(C)C(O)C1(C)O
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.81
AlogP: 3.2 Num_rotatable_bonds: 7
MolWt: 680.92 Num_heavy_atoms: 48
TPSA: 141.39 NumAromaticRings: 1

Sugarmoiety
SD00005

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