Glycoside
...
GD009691

Name:
None

Formula:
C52H89O12N5S

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)CN(CCCN(CCC#N)C(=S)NCCc2ccccc2)[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)CN(CCCN(CCC#N)C(=S)NCCc2ccccc2)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: 0.83
AlogP: 3.99 Num_rotatable_bonds: 16
MolWt: 1008.37 Num_heavy_atoms: 70
TPSA: 219.14 NumAromaticRings: 1

Unique Aglycone
AD07576
Formula: C44H75O9N5S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=S)NCCc2ccccc2)C(C)C(O)C1(C)O
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.8
AlogP: 3.07 Num_rotatable_bonds: 13
MolWt: 850.18 Num_heavy_atoms: 59
TPSA: 191.45 NumAromaticRings: 1

Sugarmoiety
SD00005

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