Glycoside

GD019816
Name:
PlicamycinFormula:
C52H76O24Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1Aglycone:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
HBA: | 24 | RingCount: | 8 |
HBD: | 11 | FractionCSP3: | 0.77 |
AlogP: | -0.25 | Num_rotatable_bonds: | 15 |
MolWt: | 1085.16 | Num_heavy_atoms: | 76 |
TPSA: | 358.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD00382
Formula: C15H14O5
Smiles:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3HBA: | 5 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.27 |
AlogP: | 1.75 | Num_rotatable_bonds: | 0 |
MolWt: | 274.27 | Num_heavy_atoms: | 20 |
TPSA: | 97.99 | NumAromaticRings: | 2 |
Sugarmoiety

SD00166
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O