Glycoside
...
GD144915

Name:
N-{2-[(5-{[(5-{3-bromo-4-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,6-dimethoxy-2-methylbenzoylsulfanyl}-4-hydroxy-6-methyloxan-2-yl)oxy]amino}-3-{[5-(ethylamino)-4-methoxyoxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-9-hydroxy-15-oxo-13-thiatetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadeca-3,5,7,10-tetraen-14-yl}methoxycarboximidic acid

Formula:
C54H74O21N3S2Br

Smiles:
CCNC1COC(OC2C(OC3c4ccccc4C4(O)CC(=O)C(N=C(O)OC)C35SCC=C45)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(Br)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC

Aglycone:
CCNC1COC(O)CC1OC.COC(O)=NC1C(=O)CC2(O)C3=CCSC31C(O)c1ccccc12.COc1c(O)c(Br)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.COC1C(O)C(C)OC(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 8 FractionCSP3: 0.69
AlogP: 2.77 Num_rotatable_bonds: 18
MolWt: 1245.22 Num_heavy_atoms: 81
TPSA: 311.93 NumAromaticRings: 2

Unique Aglycone
AD01087
Formula: C8H17O3N

Smiles:
CCNC1COC(O)CC1OC
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.28 Num_rotatable_bonds: 3
MolWt: 175.23 Num_heavy_atoms: 12
TPSA: 50.72 NumAromaticRings: 0
AD02412
Formula: C16H22O7NSBr

Smiles:
COc1c(O)c(Br)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.56
AlogP: 2.11 Num_rotatable_bonds: 5
MolWt: 452.32 Num_heavy_atoms: 26
TPSA: 120.47 NumAromaticRings: 1
AD58196
Formula: C17H17O5NS

Smiles:
COC(O)=NC1C(=O)CC2(O)C3=CCSC31C(O)c1ccccc12
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.41
AlogP: 1.23 Num_rotatable_bonds: 1
MolWt: 347.39 Num_heavy_atoms: 24
TPSA: 99.35 NumAromaticRings: 1

Sugarmoiety
SD00307

CC1OC(O)C(O)C(O)C1O.COC1C(O)C(C)OC(O)C1O