Glycoside
...
GD007476

Name:
None

Formula:
C41H37O11N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6c[n+](Cc7ccccc7)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CN1C(=O)c2c(c3c4c[n+](Cc5ccccc5)ccc4[nH]c3c3[nH]c4ccccc4c23)C1=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 1 FractionCSP3: 0.29
AlogP: 4.25 Num_rotatable_bonds: 8
MolWt: 761.76 Num_heavy_atoms: 56
TPSA: 176.41 NumAromaticRings: 6

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD06090
Formula: C27H19O2N4

Smiles:
CN1C(=O)c2c(c3c4c[n+](Cc5ccccc5)ccc4[nH]c3c3[nH]c4ccccc4c23)C1=O
HBA: 6 RingCount: 7
HBD: 2 FractionCSP3: 0.07
AlogP: 4.52 Num_rotatable_bonds: 2
MolWt: 431.48 Num_heavy_atoms: 33
TPSA: 72.84 NumAromaticRings: 6

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O