Glycoside
...
GD147985

Name:
Mirabamide B

Formula:
C73H111O25N12Cl

Smiles:
CC=C(N=C(O)C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(C)O)C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(OC3OC(C)C(O)C(O)C3O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O

Aglycone:
CC=C(N=C(O)C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(C)O)C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O

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

Other Identifiers

Properties
HBA: 37 RingCount: 4
HBD: 18 FractionCSP3: 0.65
AlogP: 4.21 Num_rotatable_bonds: 28
MolWt: 1580.19 Num_heavy_atoms: 110
TPSA: 582.84 NumAromaticRings: 1

Unique Aglycone
AD59240
Formula: C67H101O21N12Cl

Smiles:
CC=C(N=C(O)C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(C)O)C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O
HBA: 33 RingCount: 3
HBD: 16 FractionCSP3: 0.62
AlogP: 5.71 Num_rotatable_bonds: 26
MolWt: 1434.05 Num_heavy_atoms: 100
TPSA: 523.92 NumAromaticRings: 1

Sugarmoiety
SD00076

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