Glycoside
...
GD138494

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-({4-formyl-4b-hydroxy-6-[(methylamino)methyl]-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-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:
C62H71O15N5

Smiles:
CNCC1CCC2CCc3ccc(Cc4c(O)c5c6c(c4OC4OC(C)C(O)C(O)(O)C4OCC4CCNC(=N)N4)CC#CC(N)CCC(O)Cc4cccc(c4)C=Cc4c(OC(C)=O)cc(CO)c(c4C6=O)C5=O)c(C=O)c3C2(O)C1

Aglycone:
CNCC1CCC2CCc3ccc(Cc4c(O)c5c6c(c4O)C(=O)c4c(CO)cc(OC(C)=O)c(c4C6=O)C=Cc4cccc(c4)CC(O)CCC(N)C#CC5)c(C=O)c3C2(O)C1.N=C1NCCC(CO)N1

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

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 13 FractionCSP3: 0.47
AlogP: 2.94 Num_rotatable_bonds: 12
MolWt: 1126.27 Num_heavy_atoms: 82
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
AD51199
Formula: C51H52O10N2

Smiles:
CNCC1CCC2CCc3ccc(Cc4c(O)c5c6c(c4O)C(=O)c4c(CO)cc(OC(C)=O)c(c4C6=O)C=Cc4cccc(c4)CC(O)CCC(N)C#CC5)c(C=O)c3C2(O)C1
HBA: 12 RingCount: 8
HBD: 8 FractionCSP3: 0.37
AlogP: 5.2 Num_rotatable_bonds: 7
MolWt: 852.98 Num_heavy_atoms: 63
TPSA: 216.71 NumAromaticRings: 4

Sugarmoiety
SD04321

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