Glycoside
...
GD031432

Name:
None

Formula:
C137H213O42N17

Smiles:
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)c(COC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H]([C@H](CC(=O)N2CCC[C@H]2[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c2ccccc2)OC)[C@H](C)CC)C(C)C)C(C)C)c1)C(C)C

Aglycone:
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O)c([N+](=O)[O-])c2)c(COC(=O)N(C)C(C(=O)NC(C(=O)N(C)C(C(C)CC)C(CC(=O)N2CCCC2C(OC)C(C)C(=O)NC(C)C(O)c2ccccc2)OC)C(C)C)C(C)C)c1)C(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 59 RingCount: 9
HBD: 12 FractionCSP3: 0.69
AlogP: 8.54 Num_rotatable_bonds: 92
MolWt: 2770.29 Num_heavy_atoms: 196
TPSA: 721.51 NumAromaticRings: 5

Unique Aglycone
AD20250
Formula: C131H205O36N17

Smiles:
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O)c([N+](=O)[O-])c2)c(COC(=O)N(C)C(C(=O)NC(C(=O)N(C)C(C(C)CC)C(CC(=O)N2CCCC2C(OC)C(C)C(=O)NC(C)C(O)c2ccccc2)OC)C(C)C)C(C)C)c1)C(C)C
HBA: 53 RingCount: 8
HBD: 9 FractionCSP3: 0.68
AlogP: 10.98 Num_rotatable_bonds: 89
MolWt: 2594.16 Num_heavy_atoms: 184
TPSA: 625.29 NumAromaticRings: 5

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O