Glycoside
...
GD134426

Name:
Pyrroindomycin B

Formula:
C61H79O15N4Cl

Smiles:
CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C(O)C2(C)C(C=CC4C(OC5CCC(OC6CC(C)(O)C(OC7CC(OC(=O)c8cc9c([nH]8)[nH]c8ccc(Cl)cc89)C(N)C(C)O7)C(C)O6)C(C)O5)CCCC42)CC1O)C3=O

Aglycone:
CC1OC(O)CC(OC(=O)c2cc3c([nH]2)[nH]c2ccc(Cl)cc23)C1N.CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C(O)C2(C)C(C=CC4C(OC5CCC(O)C(C)O5)CCCC42)CC1O)C3=O

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

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 9 FractionCSP3: 0.67
AlogP: 8.79 Num_rotatable_bonds: 10
MolWt: 1131.76 Num_heavy_atoms: 80
TPSA: 286.93 NumAromaticRings: 3

Unique Aglycone
AD51141
Formula: C18H18O4N3Cl

Smiles:
CC1OC(O)CC(OC(=O)c2cc3c([nH]2)[nH]c2ccc(Cl)cc23)C1N
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 2.28 Num_rotatable_bonds: 2
MolWt: 363.8 Num_heavy_atoms: 25
TPSA: 113.36 NumAromaticRings: 3
AD54380
Formula: C36H51O9N

Smiles:
CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C(O)C2(C)C(C=CC4C(OC5CCC(O)C(C)O5)CCCC42)CC1O)C3=O
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.75
AlogP: 5.19 Num_rotatable_bonds: 4
MolWt: 641.8 Num_heavy_atoms: 46
TPSA: 166.11 NumAromaticRings: 0

Sugarmoiety
SD00693

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