Glycoside
...
GD002357

Name:
None

Formula:
C51H86O17N4

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(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)[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(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 7 FractionCSP3: 0.8
AlogP: 3.06 Num_rotatable_bonds: 14
MolWt: 1027.26 Num_heavy_atoms: 72
TPSA: 273.81 NumAromaticRings: 1

Unique Aglycone
AD02257
Formula: C43H72O14N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C(C)C(O)C1(C)O
HBA: 18 RingCount: 3
HBD: 7 FractionCSP3: 0.77
AlogP: 2.13 Num_rotatable_bonds: 11
MolWt: 869.06 Num_heavy_atoms: 61
TPSA: 246.12 NumAromaticRings: 1

Sugarmoiety
SD00005

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