Glycoside
...
GD018187

Name:
None

Formula:
C45H76O12N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)[C@@H]2[C@H](C)[C@H](OCN2Cc2ccccc2)[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)C2C(C)C(OCN2Cc2ccccc2)C1(C)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 4.08 Num_rotatable_bonds: 9
MolWt: 837.11 Num_heavy_atoms: 59
TPSA: 169.08 NumAromaticRings: 1

Unique Aglycone
AD12877
Formula: C37H62O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2C(C)C(OCN2Cc2ccccc2)C1(C)O
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.81
AlogP: 3.16 Num_rotatable_bonds: 6
MolWt: 678.91 Num_heavy_atoms: 48
TPSA: 141.39 NumAromaticRings: 1

Sugarmoiety
SD00005

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