Glycoside
...
GD039771

Name:
nogalamycin (protonated form)

Formula:
C39H52O16N

Smiles:
COC(=O)[C@H]1C2=CC3C(=O)c4c5c(cc(O)c4C(=O)C3=C(O)C2[C@H](O[C@H]2O[C@H](C)[C@@H](OC)[C@](C)(OC)[C@H]2OC)C[C@]1(C)O)[C@]1(C)O[C@H](O5)[C@@H](O)[C@@H]([NH+](C)C)[C@H]1O

Aglycone:
COC(=O)C1C2=CC3C(=O)c4c5c(cc(O)c4C(=O)C3=C(O)C2C(O)CC1(C)O)C1(C)OC(O5)C(O)C([NH+](C)C)C1O

Sugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OC

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 6 FractionCSP3: 0.67
AlogP: -0.54 Num_rotatable_bonds: 7
MolWt: 790.84 Num_heavy_atoms: 56
TPSA: 230.64 NumAromaticRings: 1

Unique Aglycone
AD24530
Formula: C29H34O12N

Smiles:
COC(=O)C1C2=CC3C(=O)c4c5c(cc(O)c4C(=O)C3=C(O)C2C(O)CC1(C)O)C1(C)OC(O5)C(O)C([NH+](C)C)C1O
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.55
AlogP: -1.74 Num_rotatable_bonds: 2
MolWt: 588.59 Num_heavy_atoms: 42
TPSA: 204.72 NumAromaticRings: 1

Sugarmoiety
SD00420

COC1C(C)OC(O)C(OC)C1(C)OC