Glycoside
...
GD015336

Name:
None

Formula:
C52H94O12N4S

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)NCC23CC4CC(CC(C4)C2)C3)[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)NCC23CC4CC(CC(C4)C2)C3)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 7 FractionCSP3: 0.96
AlogP: 4.34 Num_rotatable_bonds: 13
MolWt: 999.41 Num_heavy_atoms: 69
TPSA: 204.14 NumAromaticRings: 0

Unique Aglycone
AD11155
Formula: C44H80O9N4S

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)NCC23CC4CC(CC(C4)C2)C3)C(C)C(O)C1(C)O
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.95
AlogP: 3.42 Num_rotatable_bonds: 10
MolWt: 841.21 Num_heavy_atoms: 58
TPSA: 176.45 NumAromaticRings: 0

Sugarmoiety
SD00005

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