Glycoside
...
GD132126

Name:
20-amino-15-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14-{[3-(3-ethyl-1-hydroxycyclopentyl)-2-formylphenyl]methyl}-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxopentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C57H64O15N4

Smiles:
CCC1CCC(O)(c2cccc(Cc3c(O)c4c5c(c3OC3OC(C)C(O)C(O)(O)C3OCCNC(=N)N)CC#CC(N)CCC(O)Cc3cccc(c3)C=Cc3c(OC(C)=O)cc(CO)c(c3C5=O)C4=O)c2C=O)C1

Aglycone:
CCC1CCC(O)(c2cccc(Cc3c(O)c4c5c(c3O)C(=O)c3c(CO)cc(OC(C)=O)c(c3C5=O)C=Cc3cccc(c3)CC(O)CCC(N)C#CC4)c2C=O)C1.N=C(N)NCCO

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 13 FractionCSP3: 0.42
AlogP: 3.16 Num_rotatable_bonds: 13
MolWt: 1045.15 Num_heavy_atoms: 76
TPSA: 334.73 NumAromaticRings: 4

Unique Aglycone
AD44928
Formula: C3H9ON3

Smiles:
N=C(N)NCCO
HBA: 4 RingCount: 0
HBD: 5 FractionCSP3: 0.67
AlogP: -1.54 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 82.13 NumAromaticRings: 0
AD53490
Formula: C48H47O10N

Smiles:
CCC1CCC(O)(c2cccc(Cc3c(O)c4c5c(c3O)C(=O)c3c(CO)cc(OC(C)=O)c(c3C5=O)C=Cc3cccc(c3)CC(O)CCC(N)C#CC4)c2C=O)C1
HBA: 11 RingCount: 7
HBD: 7 FractionCSP3: 0.33
AlogP: 5.83 Num_rotatable_bonds: 7
MolWt: 797.9 Num_heavy_atoms: 59
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD04321

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