Glycoside
...
GD140045

Name:
7-[(6-cyclopentyl-3,4,4,5-tetrahydroxyoxan-2-yl)oxy]-6-{[3-(diaminomethyl)phenyl]methyl}-5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-1-(2-phenylethenyl)-9,10-dihydroanthracen-2-yl acetate

Formula:
C43H44O12N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C4CCCC4)C(O)C(O)(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Aglycone:
C1CCCC1.CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Sugarmoiety:
OC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 10 FractionCSP3: 0.33
AlogP: 2.96 Num_rotatable_bonds: 10
MolWt: 780.83 Num_heavy_atoms: 57
TPSA: 252.32 NumAromaticRings: 4

Unique Aglycone
AD45286
Formula: C5H10

Smiles:
C1CCCC1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 1.0
AlogP: 1.95 Num_rotatable_bonds: 0
MolWt: 70.14 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD50889
Formula: C33H28O7N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O
HBA: 9 RingCount: 5
HBD: 7 FractionCSP3: 0.12
AlogP: 3.97 Num_rotatable_bonds: 7
MolWt: 564.59 Num_heavy_atoms: 42
TPSA: 173.17 NumAromaticRings: 4

Sugarmoiety
SD04461

OC1OC(O)C(O)C(O)(O)C1O