Glycoside
...
GD123912

Name:
Arenimycin B

Formula:
C41H48O15N2

Smiles:
COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)CC2)C(=O)C=C(NC1OC(C)C(OC2CCC(N(C)C)C(C)O2)C(O)C1OC)C4=O

Aglycone:
CC1OC(O)CCC1N(C)C.COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)CC2)C(=O)C=C(N)C4=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 5 FractionCSP3: 0.54
AlogP: 1.6 Num_rotatable_bonds: 8
MolWt: 808.83 Num_heavy_atoms: 58
TPSA: 236.92 NumAromaticRings: 2

Unique Aglycone
AD09341
Formula: C26H21O10N

Smiles:
COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)CC2)C(=O)C=C(N)C4=O
HBA: 11 RingCount: 5
HBD: 5 FractionCSP3: 0.27
AlogP: 1.01 Num_rotatable_bonds: 2
MolWt: 507.45 Num_heavy_atoms: 37
TPSA: 190.52 NumAromaticRings: 2
AD50032
Formula: C8H17O2N

Smiles:
CC1OC(O)CCC1N(C)C
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.43 Num_rotatable_bonds: 1
MolWt: 159.23 Num_heavy_atoms: 11
TPSA: 32.7 NumAromaticRings: 0

Sugarmoiety
SD00297

COC1C(O)OC(C)C(O)C1O