Glycoside

GD128655
Name:
3'S-HydroxyneoharringtonineFormula:
C30H33O9NSmiles:
COC(=O)C(O)C(O)(Cc1ccccc1)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4Aglycone:
COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4.Cc1ccccc1Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OOOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.47 |
AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
MolWt: | 551.59 | Num_heavy_atoms: | 40 |
TPSA: | 123.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00196
Formula: C18H21O3N
Smiles:
COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4HBA: | 4 | RingCount: | 5 |
HBD: | 0 | FractionCSP3: | 0.56 |
AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
MolWt: | 299.37 | Num_heavy_atoms: | 22 |
TPSA: | 30.93 | NumAromaticRings: | 1 |
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1HBA: | 0 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.14 |
AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
MolWt: | 92.14 | Num_heavy_atoms: | 7 |
TPSA: | 0.0 | NumAromaticRings: | 1 |