Glycoside
...
GD025620

Name:
None

Formula:
C48H82O14N4S

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)Nc2ccc3c(c2)OCO3)[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)Nc2ccc3c(c2)OCO3)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: 0.83
AlogP: 3.38 Num_rotatable_bonds: 12
MolWt: 971.26 Num_heavy_atoms: 67
TPSA: 222.6 NumAromaticRings: 1

Unique Aglycone
AD16965
Formula: C40H68O11N4S

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)Nc2ccc3c(c2)OCO3)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.8
AlogP: 2.45 Num_rotatable_bonds: 9
MolWt: 813.07 Num_heavy_atoms: 56
TPSA: 194.91 NumAromaticRings: 1

Sugarmoiety
SD00005

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