Glycoside
...
GD124592

Name:
20-amino-15-[(3-{[2-amino-7-(2-methoxyethyl)-1,3-diazaspiro[5.5]undec-2-en-4-yl]methoxy}-4,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14-({9-formyl-9b-hydroxy-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-8-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:
C67H78O16N4

Smiles:
COCCC1CCCCC12CC(COC1C(Oc3c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c4c5c3CC#CC(N)CCC(O)Cc3cccc(c3)C=Cc3c(OC(C)=O)cc(CO)c(c3C5=O)C4=O)OC(C)C(O)C1(O)O)NC(=N)N2

Aglycone:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O.COCCC1CCCCC12CC(CO)NC(=N)N2

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

Other Identifiers

Properties
HBA: 20 RingCount: 11
HBD: 12 FractionCSP3: 0.51
AlogP: 5.07 Num_rotatable_bonds: 13
MolWt: 1195.37 Num_heavy_atoms: 87
TPSA: 329.97 NumAromaticRings: 4

Unique Aglycone
AD48709
Formula: C48H45O10N

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.33
AlogP: 5.37 Num_rotatable_bonds: 5
MolWt: 795.88 Num_heavy_atoms: 59
TPSA: 204.68 NumAromaticRings: 4
AD50345
Formula: C13H25O2N3

Smiles:
COCCC1CCCCC12CC(CO)NC(=N)N2
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.92
AlogP: 0.83 Num_rotatable_bonds: 4
MolWt: 255.36 Num_heavy_atoms: 18
TPSA: 77.37 NumAromaticRings: 0

Sugarmoiety
SD04321

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