Glycoside

GD133740
Name:
QuadoctomycinFormula:
C76H141O23NSmiles:
CC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCC(O)CCCN)OC(=O)CCCCCC(O)C(C)C(O)C(C)CC=CC(C)C1OAglycone:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCC(O)CCCN)OC(=O)CCCCCC(O)C(C)C(O)C(C)CC=CC(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 24 | RingCount: | 2 |
HBD: | 21 | FractionCSP3: | 0.88 |
AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
MolWt: | 1436.95 | Num_heavy_atoms: | 100 |
TPSA: | 455.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD54115
Formula: C70H131O18N
Smiles:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCC(O)CCCN)OC(=O)CCCCCC(O)C(C)C(O)C(C)CC=CC(C)C1OHBA: | 19 | RingCount: | 1 |
HBD: | 18 | FractionCSP3: | 0.87 |
AlogP: | 5.91 | Num_rotatable_bonds: | 9 |
MolWt: | 1274.81 | Num_heavy_atoms: | 89 |
TPSA: | 376.0 | NumAromaticRings: | 0 |