Glycoside
...
GD027806

Name:
None

Formula:
C51H88O14N4S2

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(CCCNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)[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(CCCNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.86
AlogP: 4.37 Num_rotatable_bonds: 13
MolWt: 1045.41 Num_heavy_atoms: 71
TPSA: 230.44 NumAromaticRings: 1

Unique Aglycone
AD18238
Formula: C43H74O11N4S2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.84
AlogP: 3.45 Num_rotatable_bonds: 10
MolWt: 887.22 Num_heavy_atoms: 60
TPSA: 202.75 NumAromaticRings: 1

Sugarmoiety
SD00005

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