Glycoside
...
GD007581

Name:
None

Formula:
C96H162O32N4

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)CCN(C)[C@@H]3C[C@H](C)O[C@H](O[C@@H]4[C@H](C)[C@H](O[C@@H]5C[C@@](C)(OC)[C@H](O)[C@H](C)O5)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=NOCc5cc(OC)c(OC)c(OC)c5)[C@H](C)C[C@]4(C)OC)[C@H]3O)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=NOCc2cc(OC)c(OC)c(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)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCc5cc(OC)c(OC)c(OC)c5)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=NOCc2cc(OC)c(OC)c(OC)c2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 36 RingCount: 8
HBD: 8 FractionCSP3: 0.83
AlogP: 8.69 Num_rotatable_bonds: 31
MolWt: 1884.35 Num_heavy_atoms: 132
TPSA: 430.24 NumAromaticRings: 2

Unique Aglycone
AD06152
Formula: C80H134O26N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCc5cc(OC)c(OC)c(OC)c5)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=NOCc2cc(OC)c(OC)c(OC)c2)C(C)C(O)C1(C)O
HBA: 30 RingCount: 6
HBD: 8 FractionCSP3: 0.8
AlogP: 6.84 Num_rotatable_bonds: 25
MolWt: 1567.95 Num_heavy_atoms: 110
TPSA: 374.86 NumAromaticRings: 2

Sugarmoiety
SD01205

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