Glycoside
...
GD139073

Name:
6-{[3-(diaminomethyl)phenyl]methyl}-5-hydroxy-9,10-dioxo-8-[(1H-pyrrol-3-yl)methyl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetate

Formula:
C35H35O10N3

Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Aglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 9 FractionCSP3: 0.29
AlogP: 1.72 Num_rotatable_bonds: 8
MolWt: 657.68 Num_heavy_atoms: 48
TPSA: 227.65 NumAromaticRings: 4

Unique Aglycone
AD56089
Formula: C29H25O6N3

Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O
HBA: 9 RingCount: 5
HBD: 7 FractionCSP3: 0.14
AlogP: 3.22 Num_rotatable_bonds: 6
MolWt: 511.53 Num_heavy_atoms: 38
TPSA: 168.73 NumAromaticRings: 4

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O