Glycoside
...
GD156954

Name:
20-amino-15-({3-[(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)methoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl}oxy)-14-({3-formyl-1-hydroxy-13-[(methylamino)methyl]tetracyclo[6.6.2.0²,⁷.0¹¹,¹⁵]hexadeca-2(7),3,5-trien-4-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(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C64H73O15N5

Smiles:
CNCC1CC2CCC3CC2C(O)(C1)c1c3ccc(Cc2c(O)c3c4c(c2OC2OC(C)C(O)C(O)(O)C2OCC2CCNC(=N)N2)CC#CC(N)CCC(O)Cc2cccc(c2)C=Cc2c(OC(C)=O)cc(CO)c(c2C4=O)C3=O)c1C=O

Aglycone:
CNCC1CC2CCC3CC2C(O)(C1)c1c3ccc(Cc2c(O)c3c4c(c2O)C(=O)c2c(CO)cc(OC(C)=O)c(c2C4=O)C=Cc2cccc(c2)CC(O)CCC(N)C#CC3)c1C=O.N=C1NCCC(CO)N1

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

Other Identifiers

Properties
HBA: 20 RingCount: 11
HBD: 13 FractionCSP3: 0.48
AlogP: 3.5 Num_rotatable_bonds: 12
MolWt: 1152.31 Num_heavy_atoms: 84
TPSA: 332.77 NumAromaticRings: 4

Unique Aglycone
AD46718
Formula: C5H11ON3

Smiles:
N=C1NCCC(CO)N1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.8
AlogP: -1.14 Num_rotatable_bonds: 1
MolWt: 129.16 Num_heavy_atoms: 9
TPSA: 68.14 NumAromaticRings: 0
AD48201
Formula: C53H54O10N2

Smiles:
CNCC1CC2CCC3CC2C(O)(C1)c1c3ccc(Cc2c(O)c3c4c(c2O)C(=O)c2c(CO)cc(OC(C)=O)c(c2C4=O)C=Cc2cccc(c2)CC(O)CCC(N)C#CC3)c1C=O
HBA: 12 RingCount: 9
HBD: 8 FractionCSP3: 0.4
AlogP: 5.77 Num_rotatable_bonds: 7
MolWt: 879.02 Num_heavy_atoms: 65
TPSA: 216.71 NumAromaticRings: 4

Sugarmoiety
SD04321

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