Glycoside
...
GD138120

Name:
Cosmomycin D

Formula:
C60H88O22N2

Smiles:
CCC1(O)OC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(O)C(C)O4)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1CC1CC(N(C)C)C(OC2CC(O)C(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O

Aglycone:
CC1OC(O)CCC1O.CC1OC(O)CCC1O.CCC1(O)OC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1CC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O

Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 8 FractionCSP3: 0.77
AlogP: 3.67 Num_rotatable_bonds: 15
MolWt: 1189.36 Num_heavy_atoms: 84
TPSA: 313.22 NumAromaticRings: 2

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD55771
Formula: C36H48O12N2

Smiles:
CCC1(O)OC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1CC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.61
AlogP: 2.09 Num_rotatable_bonds: 7
MolWt: 700.78 Num_heavy_atoms: 50
TPSA: 198.92 NumAromaticRings: 2

Sugarmoiety
SD00486

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O