Glycoside
...
GD137656

Name:
20-amino-15-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14-({8,17-diformyl-1-hydroxy-3-[(methylamino)methyl]pentacyclo[9.7.1.0⁵,¹⁹.0⁷,¹².0¹³,¹⁸]nonadeca-13(18),14,16-trien-16-yl}methyl)-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxopentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11,13,15,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C66H75O16N5

Smiles:
CNCC1CC2CC3C(C=O)CCC4C3c3ccc(Cc5c(O)c6c7c(c5OC5OC(C)C(O)C(O)(O)C5OCCNC(=N)N)CC#CC(N)CCC(O)Cc5cccc(c5)C=Cc5c(OC(C)=O)cc(CO)c(c5C7=O)C6=O)c(C=O)c3C(O)(C1)C24

Aglycone:
CNCC1CC2CC3C(C=O)CCC4C3c3ccc(Cc5c(O)c6c7c(c5O)C(=O)c5c(CO)cc(OC(C)=O)c(c5C7=O)C=Cc5cccc(c5)CC(O)CCC(N)C#CC6)c(C=O)c3C(O)(C1)C24.N=C(N)NCCO

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

Other Identifiers

Properties
HBA: 21 RingCount: 11
HBD: 14 FractionCSP3: 0.48
AlogP: 3.15 Num_rotatable_bonds: 14
MolWt: 1194.34 Num_heavy_atoms: 87
TPSA: 363.83 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
AD55603
Formula: C57H58O11N2

Smiles:
CNCC1CC2CC3C(C=O)CCC4C3c3ccc(Cc5c(O)c6c7c(c5O)C(=O)c5c(CO)cc(OC(C)=O)c(c5C7=O)C=Cc5cccc(c5)CC(O)CCC(N)C#CC6)c(C=O)c3C(O)(C1)C24
HBA: 13 RingCount: 10
HBD: 8 FractionCSP3: 0.42
AlogP: 5.83 Num_rotatable_bonds: 8
MolWt: 947.09 Num_heavy_atoms: 70
TPSA: 233.78 NumAromaticRings: 4

Sugarmoiety
SD04321

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